Category: 5003-48-5

Getting discriminant functions of antibacterial activity from physicochemical and topological parameters was written by Mishra, Rama K.;Garcia-Domenech, R.;Galvez, J.. And the article was included in Journal of Chemical Information and Computer Sciences in 2001.Related Products of 5003-48-5 The following contents are mentioned in the article:

Linear discriminant anal. has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topol. pattern of activity. In this work our goal is to calculate a complete set of physicochem. parameters using semiempirical (quantum chem.) calculations as well as topol. indexes (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochem. parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 Hamiltonian implemented within the MOPAC97 package. Among the TIs, connectivity as well as topol. charge indexes stands as the most representatives. The obtained results suggest that one of the maxima and min. vibrational frequencies play an important role in the antibacterial activity. These frequencies are associated with the torsional mol. vibration (N3) and the stretching vibration (N5) of X-H groups (X = C, N, O). Furthermore, the differences between the maxima and min. values showed an even better discriminant ability than the values themselves. The addnl. use of the topol. indexes provided a clear improvement in the discriminant function and also provided a straightforward way to predict the values of such frequencies, so that the results can be applied to a large set of compounds searching for new candidates as antibacterials. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Related Products of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Related Products of 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

LC-MS/MS determination of 23 nonsteroidal anti-inflammatory drugs in traditional Chinese medicine preparation was written by Pan, Wei;Gu, Xinrong;Liu, Zhizhang;Hu, Xia. And the article was included in Yaowu Fenxi Zazhi in 2012.Related Products of 5003-48-5 The following contents are mentioned in the article:

A highly selective LC-MS/MS method using a tandem quadrupole mass spectrometer detector for rapidly screening, qual. identifying and accurate quantifying of 23 nonsteroidal anti-inflammatory (NSAIDs) added in the traditional Chinese medicine preparations was developed. Acetaminophen, aspirin, metamizole, antipyrine, loxoprofen, antondine, piroxicam, naproxen, sulindac, meloxicam, chlorzoxazone, fenbufen, ibuprofen, diclofenac, indometacin, benorilate, nimesulide, aceclofenac, oxaprozin, nabumetone, mefenamic acid, ketoprofen, celecoxib added in the blank ground samples were extracted with 80% methanol and were separated from a ACQUITY UPLC BEH C₁₈ column within 12 min with a gradient of methanol-ammonium acetate, a tandem quadrupole mass spectrometer equipped with electrospray ionization source (ESI) was used in pos.-neg. ion mode, multiple reaction monitoring (MRM) was performed to quantify these compounds The 23 linear calibration curves were obtained with r²≥0.9901. The precision of the method were showed as RSD (n=6) ranged from 2.1% to 7.7%. The recoveries were tested at two concentrations (0.05, 1.0 mg·g^-1) and ranged from 94.2% to 110% for the higher concentration The lowest limit of quantification (LLOQ) is defined as the lowest concentration giving the signal-to-noise ≥10:1, the data were 0.0013-0.05 μg·g^-1. The results indicate that the method can be used in quantificational measure of nonsteroidal anti-inflammatory agents on traditional Chinese medicine preparations This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Related Products of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Related Products of 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Drug interactions and risk of acute bleeding leading to hospitalization or death in patients with chronic atrial fibrillation treated with warfarin was written by Gasse, Christiane;Hollowell, Jennifer;Meier, Christoph R.;Haefeli, Walter E.. And the article was included in Thrombosis and Haemostasis in 2005.Related Products of 5003-48-5 The following contents are mentioned in the article:

Although drug interactions with warfarin are an important cause of excessive anticoagulation, their impact on the risk of serious bleeding is unknown. We therefore performed a cohort study and a nested case-control anal. to determine the risk of serious bleeding in 4152 patients (aged 40 – 84 years) with nonvalvular atrial fibrillation (AF) taking long-term warfarin (> 3 mo). The study population was drawn from the UK General Practice Research Database. More than half (58%) of eligible patients used potentially interacting drugs during continuous warfarin treatment. Among 45 identified cases of incident idiopathic bleeds (resulting in hospitalization within 30 days or death within 7 days) and 143 matched controls, more cases than controls took ≥ 1 potentially interacting drug within the preceding 30 days (62.2% vs. 35.7%) and used > 4 drugs (polypharmacy) within the preceding 90 days (80.0% vs. 66.4%). Conditional logistic regression anal. yielded an odds ratio (OR) of 3.4 (95% confidence interval [CI]: 1.4 – 8.5) for the risk of serious bleeding in patients treated with warfarin and ≥ 1 drugs potentially increasing the effect of warfarin vs. warfarin alone adjusted for polypharmacy, diabetes, hypertension, heart failure, and thyroid disease; the adjusted OR for the combined use of warfarin and aspirin vs. warfarin alone was 4.5 (95% CI: 1.1 – 18.1). We conclude that concurrent use of potentially interacting drugs with warfarin is associated with a 3 to 4.5-fold increased risk of serious bleeding in long-term warfarin users. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Related Products of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Related Products of 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wettability and availability of drugs was written by Lagas, M.. And the article was included in Pharmaceutisch Weekblad in 1982.HPLC of Formula: 5003-48-5 The following contents are mentioned in the article:

Water did not penetrate pellets prepared from powd. phenytoin  [57-41-0] or hexobarbital (I) [56-29-1], whereas aqueous solutions of the surfactant, polysorbate 80  [9005-65-6], penetrated at a rate which depended on the polysorbate concentration (0.1-1.0%). If the drugs were rendered hydrophilic by prior mixing of the powder with a 3% Me cellulose  [9004-67-5] solution and drying before compression, penetration of water, surfactant solutions, or gastric juice was practically instantaneous. The disintegration time of hard gelatin capsules containing I was 2 h in water, 15 min in 1% polysorbate 80, and 3 min (corresponding to the gelatin dissolution time) for hydrophilic I independent of the polysorbate concentration Similarly, the dissolution rate of the I capsules was increased by polysorbate and was greatest for hydrophilic I. In human subjects, 100% disintegration of capsules of hydrophilic benorilate  [5003-48-5] occurred in the stomach within 60 min, as detected by release of a ^99mTc label; disintegration of nonhydrophilic benorilate capsules was very slow. Absorption of I, phenytoin, and benorilate in humans was more rapid and resulted in higher plasma concentrations when the drugs were administered in capsules in the hydrophilic than in the nonhydrophilic forms. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5HPLC of Formula: 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.HPLC of Formula: 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Fabrication and characterization of metal organic frameworks/ polyvinyl alcohol cryogel and their application in extraction of non-steroidal anti-inflammatory drugs in water samples was written by Wang, Yudan;Zhang, Yang;Cui, Jianan;Li, Shuo;Yuan, Ming;Wang, Ting;Hu, Qi;Hou, Xiaohong. And the article was included in Analytica Chimica Acta in 2018.HPLC of Formula: 5003-48-5 The following contents are mentioned in the article:

A series of novel MOFs/PVA composite cryogel (MIL-101(Cr)/PVA, MIL-100(Fe)/PVA, ZIF-8(Zn)/PVA, MOF-199(Cu)/PVA and MIL-53(Al)/PVA) were fabricated by using a facile and green freeze-thaw approach for the first time. MIL-101(Cr)/PVA cryogel was selected as a VA-SPE sorbent for extraction of four NSAIDs in environmental water samples. The procedures of condition investigation (synthesis and extraction optimization) and characterization were also performed. And a satisfactory result of methodol. validation was obtained by making use of HPLC-MS/MS. Under the optimum conditions, good sensitivity levels were achieved with the limits of detection between 0.007 and 0.037 μg L^-1, a linearity of 0.10-10 μg L^-1 for phenylbutazone, indomethacin, nimesulide and 0.020-2.0 μg L^-1 for benorilate (r² ≥ 0.9934). The relative recoveries of the target analytes were in the range from 78.44% to 105.7% with relative standard deviation (RSD) from 1.33% to 9.85%. In the extraction process, MIL-101(Cr)/PVA cryogel as a whole sheet outperformed the pristine dispersive MIL-101(Cr) in separation from solvent, and the application of cryogel also simplified the operation procedure. Addnl., the combination of PVA with MOFs might strengthen the interaction ability between the sorbent and analytes. This novel pretreatment method had a variety of merits, such as easy operation, high enrichment efficiency and low matrix effect. It looks forward to further optimization or functionalization and application of these MOFs/PVA cryogel in various disciplines. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5HPLC of Formula: 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.HPLC of Formula: 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Simultaneous determination of illegal drug substances in dietary supplements for gout and osteoporosis using ultra-performance liquid chromatography and liquid chromatography-quadrupole-time-of-flight mass spectrometry was written by Kim, Nam Sook;Kim, Jihee;Lim, Na Young;Lee, Ji Hyun;Park, Seongsoo;Kang, Hoil. And the article was included in Journal of Pharmaceutical and Biomedical Analysis in 2020.HPLC of Formula: 5003-48-5 The following contents are mentioned in the article:

The aim of this study was to simultaneously determine the presence of unauthorized drug substances in health foods and herbal products used in the treatment of conditions such as gout and anti-osteoporosis. Therefore, we developed and optimized a rapid and accurate method to simultaneously measure 20 anti-gout and anti-osteoporosis drug substances using an ultra-high-performance liquid chromatog. (UPLC) system equipped with a photodiode array (PDA) detector. The method was validated to fully meet internationally accepted standards LODs and LOQs spiked in solid and liquid neg. samples were ranged from 0.12 to 1.50μg/mL, and ranged from 0.36 to 4.50μg/mL. Linearities (R2> 0.999), stabilities (RSD ≤ 2.92%), accuracies (84.25∼106.62%, intra-day; 84.56∼105.85%, inter-day), precisions (RSD ≤ 3.71% on the intra-day; RSD ≤ 3.47% on the inter-day), recoveries spiked in various type of blank samples such as powder, liquid, tablet, and capsule were determined within 81.20-116.20%, resp. From a confirmation of matrix effects (88.06∼110.50% in solid blank; 89.16∼110.52% in liquid blank), it was confirmed that this method was not significantly affected by a sample matrix. The validated method was used to analyze 116 samples containing health foods, herbal products, and seized forensic samples advertised to be effective anti-gout and anti-osteoporosis agents. Of the 20 drug substances screened, dexamethasone was detected and confirmed by comparing the tandem mass spectrometry (MS/MS) fragment ion patterns of a reference standard and the sample using LC-quadrupole-time-of-flight (Q-TOF)/MS. The concentrations of adulterants in seized forensic samples ranged from 0.013 to 0.022%. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5HPLC of Formula: 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.HPLC of Formula: 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Solubility determination, model evaluation, Hansen solubility parameter and thermodynamic properties of benorilate in six pure solvents and two binary solvent mixtures was written by Sha, Jiao;Ma, Teng;Huang, Zibo;Hu, Xiaoran;Zhang, Ruke;Cao, Zidan;Wan, Yameng;Sun, Renren;He, Haixia;Jiang, Gaoliang;Li, Yu;Li, Tao;Ren, Baozeng. And the article was included in Journal of Chemical Thermodynamics in 2021.Safety of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

The equilibrium solubility and thermodn. properties of benorilate in six pure solvents (Me acetate, Pr acetate, Bu acetate, n-pentyl acetate, DMAC and DMSO) and two binary solvents (DMAC + n-pentyl acetate, DMSO + n-pentyl acetate) were reported. Solubility determinations were performed through the laser monitoring method at T = (278.15-323.15) K and p = 0.1 MPa, except DMSO at (293.15-323.15) K. The measurement results illustrated that the solubility of benorilate in all the six mono-solvents and two binary solvents shows a pos. relation with temperature variation. And with the mass fraction of pos. solvents (DMAC, DMSO) in the binary mixed solvents increasing, the solubility of benorilate also rises. And then, the Hansen solubility parameter (HSP) of benorilate as well as solvents selected were summarized to analyze the probabilities of miscibility between solute and solvents. The results indicate that the HSP could explain the solubility trend well, and the miscibility of benorilate with selected solvents is caused by a combination of factors. In addition, all recorded solubility of benorilate in pure solvents were regressed by λh, modified Apleblat, Two-Suffix Margules, NRTL and UNIQUAC models, while solubility of benorilate in two binary solvents were regressed by λh, modified Apleblat, Three-Suffix Margules, NRTL and UNIQUAC models. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Safety of 4-Acetamidophenyl 2-acetoxybenzoate).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Safety of 4-Acetamidophenyl 2-acetoxybenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Virtual screening of plant compounds and nonsteroidal anti-inflammatory drugs for inhibition of quorum sensing and biofilm formation in Salmonella was written by Almeida, Felipe Alves de;Vargas, Erika Lorena Giraldo;Carneiro, Deisy Guimaraes;Pinto, Uelinton Manoel;Vanetti, Maria Cristina Dantas. And the article was included in Microbial Pathogenesis in 2018.Computed Properties of C17H15NO5 The following contents are mentioned in the article:

Salmonella belongs to the Enterobacteriaceae family which is widely distributed in the environment due to its adaptive capacity to stress conditions. In addition, Salmonella is able to perform a type of cell-to-cell communication called quorum sensing, which leads to differential gene expression. The quorum sensing system mediated by AI-1, acyl homoserine lactones (AHLs), is incomplete in Salmonella because the luxI homolog gene, which encodes for AI-1 synthase, is missing in the genome. However, a homolog of LuxR, known as SdiA, is present and allows the detection of signaling mols. produced by other species of bacteria, leading to regulation of gene expression, mainly related to virulence and biofilm formation. Thus, in view of the importance of quorum sensing on the physiol. regulation of microorganisms, the aim of the present study was to perform a virtual screening of plant compounds and nonsteroidal anti-inflammatory drugs (NASIDs) for inhibition of quorum sensing by mol. docking and biofilm formation in Salmonella. In general, most plant compounds and all NSAIDs bound in, at least, one of the three modeled structures of SdiA proteins of Salmonella Enteritidis PT4 578. In addition, many tested compounds had higher binding affinities than the AHLs and the furanones which are inducers and inhibitors of quorum sensing, resp. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Computed Properties of C17H15NO5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Computed Properties of C17H15NO5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Identifying targets of potential concern by a screening level ecological risk assessment of human use pharmaceuticals in China was written by Bu, Qingwei;Cao, Yibo;Yu, Gang;He, Xiaofan;Zhang, Handan;Sun, Jinyu;Yun, Mengqi;Cao, Zhiguo. And the article was included in Chemosphere in 2020.Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

The pollution of pharmaceuticals has attracted a lot of concerns during recent years. The goal of this study was to identify targets of ecol. concern considering human use pharmaceuticals marketed in China. We constructed a database for 593 active pharmaceutical ingredients (APIs) by collecting their information on use and emission (e.g. production, human excretion, and removal by wastewater treatment) to calculated predicted environmental concentrations (PECs) by using an adapted European Medicines Agency method. PECs were comparable to the reported measurements for most APIs, demonstrating that the adapted method is reliable for the prioritization practice. Then PECs were compared to toxicity thresholds of three aquatic taxa (algae, daphnia, and fish). As a result, a total of 31 APIs, which were potentially risky and should be taken into consideration in future studies, were identified. Three APIs would pose a high risk with risk quotient (RQ) greater than 10. Six APIs were identified with moderate risks (1 < RQ < 10), and four of them were not reported before: rifaximin, griseofulvin, amikacin, and niclosamide. Of the 22 APIs with low risks (0.1 < RQ < 1), 17 have never been monitored previously in China and even worldwide. This study has yielded some probable antibiotics that should be considered as monitoring targets in China in the future. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

“In vivo” effects of acetylsalicylic acid and two ether derived compounds on primary immune response and lymphoblastic transformation was written by Barasoain, I.;Rojo, J. M.;Portoles, A.. And the article was included in Immunopharmacology in 1980.HPLC of Formula: 5003-48-5 The following contents are mentioned in the article:

The in vivo effects of acetylsalicylic acid (I) [50-78-2], Benorilate [5003-48-5], (II) and Eterilate [62992-61-4] (III) on lymphoblastic transformation and primary immune response were studied in mice. The humoral response in Benorilate- and Eterilate-treated mice was 40-50% lower than that of the controls, whereas in I-treated mice the response was only 25% inhibited. The number of Ig synthesizing cells was neither reduced by I nor by its derivatives, although indomethacin treatments (used for comparative purposes) inhibited by 40% the number of direct plaque-forming cells on the days tested. Mitogen-induced proliferation of spleen lymphocytes was also inhibited in the treated mice; these inhibitions were negligible in the case of cells from I treated mice activated by concanavalin A and slight in cells from Benorilate-treated mice activated by bacterial lipopolysaccharide. When lymphocytes from drug-treated animals were further cultured in the presence of the same drug, a variable inhibition of mitogen-induced proliferation was observed These different in vivo effects of I and the 2 ether derivatives and indomethacin may be due to a distinct action on diverse lymphocyte subpopulations altering their cellular collaborative interactions or modifying the prostaglandin availability. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5HPLC of Formula: 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.HPLC of Formula: 5003-48-5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics