Category: 5003-48-5

Simple and reliable prediction of toxicological activities of benzoic acid derivatives without using any experimental data or computer codes was written by Keshavarz, Mohammad Hossein;Pouretedal, Hamid Reza. And the article was included in Medicinal Chemistry Research in 2013.Recommanded Product: 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

Most of the benzoic acid derivatives can exhibit toxicity through serious public health and environmental problems. A reliable correlation is introduced for desk calculation of benzoic acid derivatives in rats via oral 50 % LD (LD₅₀). It can be easily used for any benzoic acid compound containing the carbon, hydrogen, nitrogen, oxygen and halogen atoms, or their sodium salts. The novel correlation is based on nitrogens, oxygens, and halogens as well as two correcting functions for increasing and decreasing toxicity of benzoic derivatives, which arise from some specific structural moieties. The predicted results for the toxicity of 81 benzoic acid derivatives in rats via oral LD₅₀ are more reliable than reported values by training and test sets of quant. structure-toxicity relationship (QSTR). The forecasting ability of the new model has also been checked for further 134 benzoic acid derivatives containing complex mol. structures. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Recommanded Product: 4-Acetamidophenyl 2-acetoxybenzoate).

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. 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.Recommanded Product: 4-Acetamidophenyl 2-acetoxybenzoate

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

UV spectrophotometry in drug control. Part 29: Newer drugs with benzene chromophores in the molecule; part 4: Effects of substitution and solvents was written by Kracmar, Josef;Kracmarova, J.. And the article was included in Pharmazie in 1983.Electric Literature of C17H15NO5 The following contents are mentioned in the article:

UV spectra are given for DL-ibuprofen  [15687-27-1] and mexiletine-HCl  [5370-01-4], baclofen  [1134-47-0], lorcainide-HCl  [58934-46-6], clonidine-HCl  [4205-91-8], and ketoconazole  [65277-42-1], DL-terbutalin sulfate  [23031-32-5], and propafenone-HCl  [34183-22-7], xipamide  [14293-44-8], and benorilate  [5003-48-5] in various solvents. Data on maximum and min. wavelengths, absorptivity (1%, 1 cm), and optimum concentration range for determination of the drugs are tabulated. Solvent effects on hyperchromic, bathochromic, hypochromic, and hypsochromic shifts in the spectra of ibuprofen, baclofen, ketoconazole, and xipamide are discussed. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Electric Literature of C17H15NO5).

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. Polyesters are important plastics, with monomers linked by ester moieties. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Electric Literature of C17H15NO5

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

Mouth dissolving tablets: an innovative deviation in drug delivery system was written by Singh, Bharpoor;Bala, Rajni Miss;Gill, Naresh Singh. And the article was included in Journal of Pharmaceutical Sciences and Research in 2019.Category: esters-buliding-blocks The following contents are mentioned in the article:

The main aim of novel drug delivery system is to develop a dosage form which is easy to administer, free from side effects, exhibit immediate release and offer enhanced bioavailability for better patient compliance. To achieve such results oral drug delivery system, preferably, tablets are the most widely accepted dosage forms which offer numerous advantages. Beside those advantages, Dysphagia is the most common disadvantage of conventional tablets which is associated with number of conditions like sudden exposure of allergies, mental disability, motion sickness, unconsciousness, unavailability of water etc. To get rid from these problems several innovative drug delivery systems have been developed like Mouth Dissolving Tablets (MDT′s) which dissolve in saliva within a few seconds, when put on tongue. These tablets can be administered anywhere and anytime, without the need of water and are thus quite suitable for children, elderly and mentally disabled patients. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Category: esters-buliding-blocks).

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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks

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

Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes was written by Keshavarz, Mohammad Hossein;Gharagheizi, Farhad;Shokrolahi, Arash;Zakinejad, Sajjad. And the article was included in Journal of Hazardous Materials in 2012.COA of Formula: C17H15NO5 The following contents are mentioned in the article:

Most of benzoic acid derivatives are toxic, which may cause serious public health and environmental problems. Two novel simple and reliable models are introduced for desk calculations of the toxicity of benzoic acid compounds in mice via oral LD₅₀ with more reliance on their answers as one could attach to the more complex outputs. They require only elemental composition and mol. fragments without using any computer codes. The first model is based on only the number of carbon and hydrogen atoms, which can be improved by several mol. fragments in the second model. For 57 benzoic compounds, where the computed results of quant. structure-toxicity relationship (QSTR) were recently reported, the predicted results of two simple models of present method are more reliable than QSTR computations. The present simple method is also tested with further 324 benzoic acid compounds including complex mol. structures, which confirm good forecasting ability of the second model. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5COA of Formula: 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.COA of Formula: C17H15NO5

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

Artificial Neural Networks and Linear Discriminant Analysis: A Valuable Combination in the Selection of New Antibacterial Compounds was written by Murcia-Soler, Miguel;Perez-Gimenez, Facundo;Garcia-March, Francisco J.;Salabert-Salvador, Ma Teresa;Diaz-Villanueva, Wladimiro;Castro-Bleda, Maria Jose;Villanueva-Pareja, Angel. And the article was included in Journal of Chemical Information and Computer Sciences in 2004.Formula: C17H15NO5 The following contents are mentioned in the article:

A set of topol. descriptors has been used to discriminate between antibacterial and nonantibacterial drugs. Topol. descriptors are simple integers calculated from the mol. structure represented in SMILES format. The methods used for antibacterial activity discrimination were linear discriminant anal. (LDA) and artificial neural networks of a multilayer perceptron (MLP) type. The following plot frequency distribution diagrams were used: a function of the number of drugs within a value interval of the discriminant function and the output value of the neural network vs. these values. Pharmacol. distribution diagrams (PDD) were used as a visualizing technique for the identification of antibacterial agents. The results confirmed the discriminative capacity of the topol. descriptors proposed. The combined use of LDA and MLP in the guided search and the selection of new structures with theor. antibacterial activity proved highly effective, as shown by the in vitro activity and toxicity assays conducted. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Formula: C17H15NO5).

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. 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.Formula: C17H15NO5

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

Photolytic degradation of benorylate: effects of the photoproducts on cultured hepatocytes was written by Castell, J. V.;Gomez-L., M. J.;Mirabet, V.;Miranda, M. A.;Morera, I. M.. And the article was included in Journal of Pharmaceutical Sciences in 1987.Formula: C17H15NO5 The following contents are mentioned in the article:

The photodegradation of benorylate [4′-(acetamido)phenyl-2-acetoxybenzoate], a drug frequently used in rheumatoid arthritis therapy, has been examined under different sets of exptl. conditions. Several photoproducts have been isolated and identified on the basis of their IR, NMR, and MS spectra. The most significant photochem. process is the photo-Fries rearrangement of benorylate, leading to 5-acetamido-2′-acetoxy-2-hydroxybenzophenone. This compound undergoes a rapid transacylation to the isomeric 5′-acetamido-2′-acetoxy-2-hydroxybenzophenone. A primary culture of rat hepatocytes has been used to evaluate the possible toxicity of these two benzophenones, keeping in mind the following criteria: leakage of cytosolic enzymes, attachment index to culture plates, gluconeogenesis from lactate and fructose, glycogen balance, and albumin synthesis. At the concentrations assayed, neither of the two major photoproducts of benorylate (benzophenones) had significant toxic effects on liver cells in culture. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Formula: C17H15NO5).

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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Formula: C17H15NO5

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

Probabilistic Neural Network Model for the In Silico Evaluation of Anti-HIV Activity and Mechanism of Action was written by Vilar, Santiago;Santana, Lourdes;Uriarte, Eugenio. And the article was included in Journal of Medicinal Chemistry in 2006.Product Details of 5003-48-5 The following contents are mentioned in the article:

A theor. model has been developed that discriminates between active and nonactive drugs against HIV-1 with four different mechanisms of action for the active drugs. The model was built up using a probabilistic neural network (PNN) algorithm and a database of 2720 compounds The model showed an overall accuracy of 97.34% in the training series, 85.12% in the selection series, and 84.78% in an external prediction series. The model not only correctly classified a very heterogeneous series of organic compounds but also discriminated between very similar active/nonactive chems. that belong to the same family of compounds More specifically, the model recognized 96.02% of nonactive compounds, 94.24% of active compounds that inhibited reverse transcriptase, 97.24% of protease inhibitors, 97.14% of virus uncoating inhibitors, and 90.32% of integrase inhibitors. The results indicate that this approach may represent a powerful tool for modeling large databases in QSAR with applications in medicinal chem. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Product Details of 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.Product Details of 5003-48-5

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

New hypoglycemic agents selected by molecular topology was written by Calabuig, C.;Anton-Fos, G. M.;Galvez, J.;Garcia-Domenech, R.. And the article was included in International Journal of Pharmaceutics in 2004.Computed Properties of C17H15NO5 The following contents are mentioned in the article:

New compounds showing hypoglycemic activity have been designed through a computer aided method based on quant. structure-activity relationship (QSAR) and mol. connectivity. After calculation of topol. indexes for a set of 89 compounds including active and inactive with regards to hypoglycemic action, linear discriminant anal. was performed so that a useful model to predict such an activity was achieved. Later on, the discriminant model was applied on a huge database so that fourteen compounds were selected as potential new hypoglycemics. From them, just five were finally selected for exptl. test on expected hypoglycemic activity. Among the selected compounds, L-arabitol, Acid blue 161, 1,4-butanediol diglycidyl ether and Acid red 151 stand out, which are comparable in potency to standard drugs such as tolbutamide. Acid blue has a glycemia profile similar to that of tolbutamide but does not lead to a severe hypoglycemic condition, while the profile of the other agents is near normality. 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 typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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.Computed Properties of C17H15NO5

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

In-source CID mass spectral libraries for the “general unknown” screening of drugs and toxicants was written by Marquet, P.;Venisse, N.;Lacassie, E.;Lachatre, G.. And the article was included in Analusis in 2001.Related Products of 5003-48-5 The following contents are mentioned in the article:

A “general unknown” screening procedure for drugs and toxicants using LC-ES-MS was developed. It involved in-source collision induced dissociation (CID) of the mol. ions (in the neg.-ion mode) or protonated mols. (in the pos.-ion mode) generally obtained from electrospray sources. Spectra were reconstructed by adding, on one hand, a pair of pos. spectra, one without and one with fragmentation, and on the other a pair of neg. spectra acquired in similar conditions. These reconstructed spectra showed at least as many fragments as MS/MS spectra, and sometimes as many as electron-ionization spectra. They were repeatable and reproducible enough to be used for the specific identification of hundreds of mols. Libraries of about 1100 pos. spectra and 500 neg. spectra were constructed and are used routinely, together with chromatog. separation involving a Nucleosil C18, 5 μm column (150 × 1 mm i.d.) and a gradient of acetonitrile in 2 mM, pH 3 ammonium formate as a screening technique complementary to GC-MS and HPLC-DAD. 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 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. 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

Rapid identification of 15 effective components of common cold medicine with MRM by LC-MS/MS was written by Jiang, Jian-guo;Zhang, Xi-ru;Zhang, Yi-hua;Song, Geng-shen. And the article was included in Yaoxue Xuebao in 2013.Safety of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

This paper reported the establishment of a method for rapid identification of 15 effective components of common cold medicine(paracetamol, aminophenazone, pseudoephedrine hydrochloride, methylephedrine hydrochloride, caffeine, amantadine hydrochloride, phenazone, guaifenesin, chlorphenamine maleate, dextromethorphan hydrobromide, diphenhydramine hydrochloride, promethazine hydrochloride, propyphenazone, benorilate and diclofenac sodium) with MRM by LC-MS/MS. The samples were extracted by methanol and were separated by a Altantis T3 column within 15 min with a gradient of acetonitrile-ammonium acetate(containing 0.25% glacial acetic acid), a tandem quadrupole mass spectrometer equipped with electrospray ionization source(ESI) was used in pos. ion mode, and multiple reaction monitoring(MRM) was performed for qual. anal. of these compounds The min. detectable quantity was 0.33-2.5μg·kg^-1 of the 15 compounds The method is simple, accurate and has good reproducibility for rapid identification of many components in the same chromatog. condition, and provides a reference for qual. anal. of illegally added chems. in common cold medicine. 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. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Safety of 4-Acetamidophenyl 2-acetoxybenzoate

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