Category: 5003-48-5

QSAR analysis of hypoglycemic agents using the topological indices was written by Murcia-Soler, Miguel;Perez-Gimenez, Facundo;Nalda-Molina, Ricardo;Salabert-Salvador, M. Teresa;Garcia-March, Francisco J.;Cercos-del-Pozo, Rosa Ana;Garrigues, Teresa M.. And the article was included in Journal of Chemical Information and Computer Sciences in 2001.Formula: C17H15NO5 The following contents are mentioned in the article:

The mol. topol. model and discriminant anal. have been applied to the prediction of some pharmacol. properties of hypoglycemic drugs using multiple regression equations with their statistical parameters. Regression anal. showed that the mol. topol. model predicts these properties. The corresponding stability (cross-validation) studies performed on the selected prediction models confirmed the goodness of the fits. The method used for hypoglycemic activity selection was a linear discriminant anal. (LDA). We make use of the pharmacol. distribution diagrams (PDDs) as a visualizing technique for the identification and selection of new hypoglycemic agents, and we tested on rats the predictive ability of the model. 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 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. Formula: C17H15NO5

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Differential pulse voltammetry for determination of benorilate in pharmaceutical formulations at carbon paste electrode was written by Wang, Chengyin;Hu, Xiaoya;Chen, Qian;Rong, Guo. And the article was included in Analytical Letters in 2005.SDS of cas: 5003-48-5 The following contents are mentioned in the article:

Benorilate was determined by the differential pulse voltammetry (DPV) using a carbon paste electrode in 1.25 × 10^-3 mol L^-1 KH₂PO₄ and Na₂HPO₄ buffer solution (pH = 6.88, 25°). The anodic peak potential was +1.020 V (vs. SCE). A good linear relationship was realized between the anodic peak currents and benorilate concentrations in the range of 2.0 × 10^-7 to 4.5 × 10^-4 mol L^-1 with the detection limit of 5.0 × 10^-8 mol L^-1. The recovery was 94.3 to 104.6% with the RSD of 3.5% (n = 9). The pharmaceutical preparations, benorilate tablets samples, were determined with desirable results. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5SDS of cas: 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. 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.SDS of cas: 5003-48-5

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Benorylate hydrolysis by human plasma and human liver was written by Williams, Faith M.;Moore, U.;Seymour, R. A.;Mutch, E. M.;Nicholson, E.;Wright, P.;Wynne, H.;Plain, P. G.;Rawlins, M. D.. And the article was included in British Journal of Clinical Pharmacology in 1989.Recommanded Product: 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

Benorylate (4-acetamido phenyl-O-acetylsalicylate) (I) hydrolysis in vitro by human plasma and by human liver microsomes an cytosol has been investigated. Benorylate was hydrolyzed by a route involving initial hydrolysis of the acetyl group to yield phenetsal followed by hydrolysis to paracetamol and salicylate. Hydrolysis via acetylsalicylate was minor. Benorylate was more actively hydrolyzed by liver cytosol than microsomes and about 10 times faster than plasma. Following a single oral dose benorylate (4 g) to volunteers only salicylate and paracetamol were detected in the plasma. The therapeutic effects of benorylate appear to be mediated by salicylate and paracetamol. 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. 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.Recommanded Product: 4-Acetamidophenyl 2-acetoxybenzoate

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Determination of two components and their related substances in pediatric benorilate and vitamin B₁ granules by HPLC was written by Lu, Xia;Hu, Mingtong;Yu, Xu. And the article was included in Zhongguo Yiyao Gongye Zazhi in 2015.Synthetic Route of C17H15NO5 The following contents are mentioned in the article:

A HPLC method was established for the determination of benorilate and vitamin B₁, and their related substances, paracetamol, aspirin and salicylic acid, in pediatric benorilate and vitamin B₁ granules. A Kromasil ODS-1 column was used with the mobile phase of methanol: 0.2 mol/L acetic acid/sodium acetate buffer (pH 4.8) by gradient elution, at the detection wavelength of 245 nm. It was linear for benorilate and vitamin B₁ in the concentration ranges of 0.2-2.0 mg/mL and 10-100 μg/mL. Their average recoveries were 100.2% and 99.6%, with RSDs of 0.62% and 1.27%, resp. The LLODs of paracetamol, aspirin and salicylic acid were 0.026, 0.048 and 0.048 μg/mL, resp. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Synthetic Route 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. 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.Synthetic Route of C17H15NO5

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Improvement of synthetic process of benorilate was written by Fu, Xiaozhong;Li, Ling;Rao, Guangling;Tang, Lei;Dong, Yongxi. And the article was included in Guiyang Yixueyuan Xuebao in 2012.Reference of 5003-48-5 The following contents are mentioned in the article:

Objective: To optimize the synthetic process of benorilate, and to obtain better exptl. teaching effect. Methods: The oxalyl chloride and DMF were used to substitute thionyl chloride and pyridine, and the reaction temperature and acetylsalicyloyl chloride distillation temperature were changed to observe the effect on the yield and quality of benorilate. Results: The oxalyl chloride and DMF reaction was rapid, the reaction condition was mild, and the yield was high. The product quality could be improved by reducing the reaction temperature and acetylsalicyloyl chloride distillation temperature Conclusion: The improved method can reduce drug dosage, experiment time and energy consumption and improve the yield and quality of the product. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Reference 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. 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.Reference of 5003-48-5

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Identification of SVM-based classification model, synthesis and evaluation of prenylated flavonoids as vasorelaxant agents was written by Dong, Xiaowu;Liu, Yujie;Yan, Jingying;Jiang, Chaoyi;Chen, Jing;Liu, Tao;Hu, Yongzhou. And the article was included in Bioorganic & Medicinal Chemistry in 2008.Computed Properties of C17H15NO5 The following contents are mentioned in the article:

Support vector machine (SVM) was applied to predict vasorelaxation effect of different structural mols. A good classification model had been established, and the accuracy in prediction for the training, test, and overall datasets was 93.0%, 82.6%, and 89.5%, resp. Furthermore, the model was used to predict the activity of a series of prenylated flavonoids. According to the estimated result, eleven mols. 1-11 were selected and synthesized. Their vasodilatory activities were determined exptl. in rat aorta rings that were pretreated with phenylephrine (PE). Structure-activity relationship (SAR) anal. revealed that flavanone derivatives showed the most potent activities, while flavone and chalcone derivatives exhibited medium activities. 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 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. 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.Computed Properties of C17H15NO5

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Study on plasma levels of benorylate and its metabolites in man following single- and repeated administration was written by Cailleux, P.;Cailleux, A.;Allain, P.;Renier, J. C.. And the article was included in Therapie in 1979.Application of 5003-48-5 The following contents are mentioned in the article:

After administration of benorylate (I) [5003-48-5] (4 g, orally, once or 3 g, orally, twice/day) to healthy individuals, only I metabolites salicylic acid [69-72-7] and paracetamol [103-90-2] were determined in blood plasma. I was not found even though the sensitivity of the method used was 0.1 mg/L. Great intersubject variations in plasma levels and half-life values for I metabolites were observed both after single and double dose of I. After 1 dose of I, plasma levels of the metabolites varied from 14-74 mg/L and 1.8-9.8 mg/L, and individual half-life varied 10-20 h and 6-47 h for salicylic acid and paracetamol, resp. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Application 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. 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. Application of 5003-48-5

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Improved synthesis method of benorilate was written by Chen, Qi-xu;Zhang, Yong-chun;Ren, Ji-bo;Cao, Zhi-chao;Liu, Sheng-wei;Song, Zi-long;Qi, Qi;Wang, Ming-jun;Yuan, Wen-peng. And the article was included in Zhejiang Huagong in 2021.Name: 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

Benorilate is a non-steroidal anti-inflammatory, antipyretic and analgesic. Benorilate is widely used clin. because of its low irritation to the gastrointestinal tract, low toxicity and long action time. The existing synthesis method uses thionyl chloride/pyridine as the chlorination reagent, which has problems such as large pungent odor, complicated equipment and environmental pollution. By improving and optimizing the synthesis method, using Vilsmeier reagent/triethylamine as the chlorination reagent and DMF as the reaction solvent, the total yield of the reaction could reach 80.4%. The improved method has mild reaction conditions, low odor, simple equipment, less waste water and waste gas, and good product properties. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Name: 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. 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.Name: 4-Acetamidophenyl 2-acetoxybenzoate

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

Inductive QSAR descriptors. Distinguishing compounds with antibacterial activity by artificial neural networks was written by Cherkasov, Artem. And the article was included in International Journal of Molecular Sciences in 2005.Name: 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

On the basis of the previous models of inductive and steric effects, ‘inductive’ electronegativity and mol. capacitance, a range of new ‘inductive’ QSAR descriptors has been derived. These mol. parameters are easily accessible from electronegativities and covalent radii of the constituent atoms and interat. distances and can reflect a variety of aspects of intra- and intermol. interactions. Using 34 ‘inductive’ QSAR descriptors alone we have been able to achieve 93% correct separation of compounds with- and without antibacterial activity (in the set of 657). The elaborated QSAR model based on the Artificial Neural Networks approach has been extensively validated and has confidently assigned antibacterial character to a number of trial antibiotics from the literature. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Name: 4-Acetamidophenyl 2-acetoxybenzoate).

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. 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.Name: 4-Acetamidophenyl 2-acetoxybenzoate

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

Study on metabolites from an endophyte of Taxus yunnanensis was written by Yuan, Yao;Liu, Jia-jia;Chen, Shu-juan;Wang, Xiao-jun. And the article was included in Zhongnan Linye Keji Daxue Xuebao in 2010.Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

A strain of Penicillium spp. was isolated from barks of Taxus yunnanensis as an endophyte. Metabolite of it was separated and analyzed. Two bioactive compounds were isolated from the extract of fungus mycelium by silica gel chromatog. The structures were elucidated to be ergosterol peroxide and benorilate on the basis of detailed spectroscopic anal. and comparison with the literatures. Ergosterol peroxide is on anti-tumor and anti-microbial active compound, and benorilate is a kind of widely used anti-inflammatory drug. The yield is 2.0 and 1.5mg/L. Other components were elucidated to be mainly n-tridecanoic acid, 9-octadecenoic acid and some other fatty acid based on GC/MS anal. It is the first report of natural source of benorilate, especially from plant endophyte. 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. 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. 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