Category: 27115-50-0

Nitsche, Johannes M.; Kasting, Gerald B. published an article in 2013, the title of the article was A correlation for 1,9-decadiene/water partition coefficients.Computed Properties of 27115-50-0 And the article contains the following content:

An important series of papers by Xiang, Anderson, and coworkers has established the strong correlation between phospholipid bilayer membrane permeability and the 1,9-decadiene/water partition coefficient over a wide range of compounds, elevating the importance of Kdecadiene/w as a predictor of mol. bioavailability. On the basis of a 58-point dataset developed by these authors, this research note develops an optimal correlation predicting log10Kdecadiene/w in terms of the octanol/water partition coefficient and four of the Abraham solvation parameters, namely A (hydrogen bond acidity), S (polarity/polarizability), E (excess molar refraction), and V (McGowan characteristic volume). The fitted dataset is described to within a root-mean-square error of 0.42, and the probable error in making a prediction for a compound not present therein is 0.49. It is shown that this correlation error for Kdecadiene/w is the dominant source of uncertainty in applying a comprehensive new model of phospholipid bilayer membrane permeability developed in a companion paper (Nitsche and Kasting, submitted for publication), which superposes the effects of mol. size and lipid d. upon the decadiene lipophilicity scale. Thus, more exptl. studies to augment the limited existing database on Kdecadiene/w are called for. © 2012 Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Computed Properties of 27115-50-0

The Article related to decadiene water partition coefficient membrane permeability prediction, General Biochemistry: Other and other aspects.Computed Properties of 27115-50-0

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On September 30, 2011, Kong, Hyesik; Kim, Hyunjeong; Do, Heejeong; Lee, Yonghyun; Hong, Sungchae; Yoon, Jeong-Hyun; Jung, Yunjin; Kim, Young Mi published an article.Synthetic Route of 27115-50-0 The title of the article was Structural effects of N-aromatic acyl-amino acid conjugates on their deconjugation in the cecal contents of rats: implication in design of a colon-specific prodrug with controlled conversion rate at the target site. And the article contained the following:

N-aromatic acyl-amino acid conjugates possess a colon-targeted property, implying that such conjugates are stable and are not absorbable until reaching the large intestine in which they are microbially converted (hydrolyzed) to the parent drugs that are therapeutically active. To investigate the structural effect of N-aromatic acyl-amino acid conjugates on the large intestinal deconjugation, the hydrolysis of various N-aromatic acyl-amino acid conjugates was examined in the cecal contents. On incubation of conjugates with glycine, D or/andL forms of alanine or phenylalanine in the cecal contents, the conjugates with D amino acids were not hydrolyzed. The other conjugates are susceptible to the hydrolysis, the rates of which decreased as the size of the substituent on the 2-position of the amino acids increased. The conjugates with alkyl analogs (2-4 carbons) of glycine and taurine were resistant to the hydrolysis, while taurine- and glycine-conjugates were hydrolyzed effectively. The hydrolysis of N-aromatic acyl-glycine conjugates was enhanced by para-substitution of electron withdrawing groups on the aromatic acyl moiety and vice versa for electron-donating groups. While a Me, methoxy or chloro group on the ortho-position retarded the hydrolysis, a hydroxyl group on the position accelerated it. Our data may provide useful information for the design of a colon-specific prodrug with controlled conversion rate in the large intestine. Copyright © 2011 John Wiley & Sons, Ltd. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Synthetic Route of 27115-50-0

The Article related to n aromatic acylamino acid conjugate hydrolysis cecum sar, Pharmacology: Structure-Activity and other aspects.Synthetic Route of 27115-50-0

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On March 31, 2018, Beloglazkina, A. A.; Skvortsov, D. A.; Tafeenko, V. A.; Majouga, A. G.; Zyk, N. V.; Beloglazkina, E. K. published an article.Recommanded Product: 27115-50-0 The title of the article was Synthesis and cytotoxicity of novel dispiro derivatives of 5-arylidenoxazolones, potential inhibitors of p53-MDM2 protein-protein interaction. And the article contained the following:

Regioselective synthesis of new dispiro indolinones combining both an indolinone and an oxazolone fragment in their structure comprised the 1,3-dipolar cycloaddition of azomethine ylides, generated in situ from isatin and sarcosine, at 2-aryl-5-arylmethylidene-substituted 1,3-oxazol-5(4H)-ones. When ortho and para halogen atoms were present in the aromatic substituents of the starting oxazolones, complex mixtures containing large amounts of oxazoline ring opening products and their dispiro derivatives were formed. The cytotoxicity of compounds was tested by MTT on LNCaP, PC3, HCT116, MCF7, A549, HEK, and VA13 cell lines. The compound possessing the best cytotoxicity revealed the IC50 = 1.08±0.96 μM towards the p53- expressing LNCaP cells and lower activity (IC50 = 3.21±1.45 μM) towards the non-expressing p53 protein PC3 cells, however, it has proved inactive towards the HCT cells, both expressing (HCT+/+) and non-expressing (HCT-/-) p53. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Recommanded Product: 27115-50-0

The Article related to preparation dispiro derivative arylidenoxazolone p53 mdm2 interaction cancer, Pharmacology: Structure-Activity and other aspects.Recommanded Product: 27115-50-0

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Ma, Min; Jiang, Xingjun; Wang, Xueding; Zou, Hao; Yang, Weiqing; Zhang, Yuanyuan; Peng, Changrong; Li, Zicheng; Yang, Jing; Du, Quan; Ma, Menglin published an article in 2016, the title of the article was Synthesis and Quantitative Structure-activity Relationships Study for Arylpropenamide Derivatives as Inhibitors of Hepatitis B Virus Replication.Name: 2-(4-Methylbenzamido)acetic acid And the article contains the following content:

A series of new arylpropenamide derivatives containing different aryl groups were synthesized, characterized, and evaluated for their anti-hepatitis B virus (HBV) activities. A new high accuracy QSAR model of arylpropenamide was constructed based on a more completely activities data and calculation parameter. The 2D-QSAR equations, by using DFT and multiple linear regression anal. methods, revealed that higher value of thermal energy (TE) and lower entropy Sn.1257 increase the anti-HBV activities of the arylpropenamide mols. Predictive 3D-QSAR models were established by SYBYL multifit mol. alignment rule. The optimum models were all statistically significant with cross-validated and conventional coefficients, indicating that they were reliable enough for activity prediction. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Name: 2-(4-Methylbenzamido)acetic acid

The Article related to aryl propenamide derivative preparation structure antiviral hepatitis b, 2d-qsar, 3d-qsar, sybyl, arylpropenamide, hepatitis b virus, Pharmacology: Structure-Activity and other aspects.Name: 2-(4-Methylbenzamido)acetic acid

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On September 25, 2013, Xiao, Run-mei; Sun, Jing-zhi; Mei, Yong; Liu, Jie; Chen, Yong published an article.COA of Formula: C10H11NO3 The title of the article was Simultaneous determination of four urinary metabolites of hippuric acid and methyl hippuric acid by HPLC. And the article contained the following:

A high performance liquid chromatog.(HPLC) method with diode array detection was established for simultaneous determination of hippuric acid (HA), Me hippuric acid(2-MHA, 3-MHA, 4-MHA) in urine. The target analytes in 0.5 mL urine sample were extracted with 0.5 mL Et acetate as extraction solvent in 3 min after the addition of 75 mg NaCL. After centrifugation, the four metabolites in sample were well separated on symmetry C18 (150 mm*4.6 mm, 5μm) column with mobile phase consisting of methanol: water: glacial acetic acid=30:70:0.1, column temperature at 35°C, the wavelength was set at 235 nm. Under the optimal conditions, the calibration curves of the four metabolites were linear in the range of 20mg/L∼500mg/L and the correlation coefficients were not less than 0.9997. The detection limits (S/N=3) were in the range of 21μg/L-200μg/L. The spiked recoveries were in the range of 97%∼104% with relative standard deviations (RSD) less than 5%. The method was sensitive, accurate and it could meet the needs of biol. monitoring on the metabolites of harmful substances in urine. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).COA of Formula: C10H11NO3

The Article related to urinary metabolite methyl hippuric acid hplc, Food and Feed Chemistry: Analysis and other aspects.COA of Formula: C10H11NO3

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On December 31, 2014, Meyer-Monath, Marie; Chatellier, Claudine; Rouget, Florence; Morel, Isabelle; Lestremau, Francois published an article.Reference of 2-(4-Methylbenzamido)acetic acid The title of the article was Development of a multi-residue method in a fetal matrix: analysis of meconium. And the article contained the following:

Meconium is the earliest stool of newborns. It is a complex matrix that reflects the degree of fetal exposure to environmental pollutants. To investigate exposure to xenobiotics, an anal. method was developed to identify and quantify some pesticides and their metabolites and BTEX metabolites in meconium. Samples were prepared by two liquid-solid extractions and purified twice using SPE cartridges, followed by anal. with liquid chromatog. coupled with tandem mass spectrometry. SPE cartridges (polymeric phase with hydrophilic and hydrophobic interactions, ion exchange, mixed mode) were tested and matrix effects were evaluated to determine purification performance. The quantification limits in meconium of this multi-residue method were in the range of 30 ng g-1. The anal. method was applied to “real” meconium samples. Some target analytes were determined in most samples. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Reference of 2-(4-Methylbenzamido)acetic acid

The Article related to pollutant multiresidue analysis fetus meconium lc ms, Toxicology: Methods (Including Analysis) and other aspects.Reference of 2-(4-Methylbenzamido)acetic acid

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On October 1, 2010, Caporossi, Lidia; De Rosa, Mariangela; Papaleo, Bruno published an article.Formula: C10H11NO3 The title of the article was Complete separation of urinary metabolites of xylene in HPLC/DAD using β-cyclodextrin: Application for biological monitoring. And the article contained the following:

To determine the biomarkers of exposure to xylene, urinary 2-, 3- and 4-methyl-hippuric acids, a new HPLC/DAD anal. method has been developed, which uses β-cyclodextrin as an additive for elution; its complexing abilities are exploited to achieve complete chromatog. separation of the three isomers. The mobile phase was a 3% aqueous solution of β-cyclodextrin, pH 3, and methanol, 80:20, in isocratic conditions, with a flow rate of 1 mL/min. To optimize quant. anal. three wavelengths were employed for detection: λ = 198 nm, λ = 200 nm, and λ = 202 nm. SPE was applied for the extraction from urine samples of analytes. Validation parameters show recoveries always above 82%; LOD was set at 1 μg/mL with an LOQ of 3 μg/mL. The linear dynamic range (from 4 to 100 μg/mL) showed excellent correspondence. This method is rapid and inexpensive and can be applied to several samples simultaneously using a manifold for SPE extraction The analytes were separated completely and could be fully quantified. The method was used for the anal. of urine samples from 54 workers exposed to xylene in hospital laboratories and showed a good applicability while allowing quantification even at low doses. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Formula: C10H11NO3

The Article related to xylene occupational exposure methylhippuric acid biomarker urine analysis, methylhippuric acid urine analysis hplc cyclodextrin, Toxicology: Methods (Including Analysis) and other aspects.Formula: C10H11NO3

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On December 15, 2017, Gonzalez, Johannes L.; Pell, Albert; Lopez-Mesas, Montserrat; Valiente, Manuel published an article.HPLC of Formula: 27115-50-0 The title of the article was Simultaneous determination of BTEX and their metabolites using solid-phase microextraction followed by HPLC or GC/MS: An application in teeth as environmental biomarkers. And the article contained the following:

Applications of benzene, toluene, ethylbenzene, and o-, m-, and p-xylenes (BTEX) release them into the environment exposing living organism. These endocrine disruptors are toxic, highly volatile and easily absorbed by the lungs and can cause adverse consequences for the human health as neurol. diseases and cancer. A method for the anal. of BTEX and its metabolites (phenols and aromatic acids) in teeth is presented. The method consists in a one-step simple extraction procedure from spiked tooth using NaOH solution followed by SPME-HPLC or HS-SPME-GC/MS determination Optimization of both, spiking procedure and extraction step of these analytes from tooth, was carried out. Two fibers CAR/PDMS for BTEX and PA for BTEX metabolites were used for the SPME and variables were optimized for analytes at 30° using spiked solutions The optimized adsorption times were 30, 75 and 30 min and desorption times were 10, 40 and 30 min for BTEX, phenols and aromatic acids, resp. Linearity for SPME-HPLC method was established using spiked solutions with both, BTEX and metabolites, at 2.5, 5.0, 10.0, 25.0 μg/mL. The obtained results indicated a good linearity (R2 above 0.994) for all analytes. Triplicate analyses were performed with RSD lower than 15%. LODs were in the range 0.2-33.3 ng/mL for SPME-HPLC and 0.06-0.09 pg/mL for HS-SPME-GC/MS methods in spiking solutions Once the method was optimized, bovine teeth were used as biol. matrix model for the tuning of spiking and extraction steps. Optimal adsorption and desorption times were 4 h for both procedures. Micrograms per tooth gram of BTEX and phenols were quantified in ten human teeth and aromatic acids were not identified. The developed method for BTEX and metabolites analyses using SPME-HPLC or HS-SPME-GC/MS shows good precision, linearity and sensitivity. The method was successfully applied in human teeth as environmental biomarker of BTEX and metabolites. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).HPLC of Formula: 27115-50-0

The Article related to btex metabolite biomarker determination tooth hplc gc ms, btex, btex metabolites, hplc, gc–ms, human teeth samples, spme, Toxicology: Methods (Including Analysis) and other aspects.HPLC of Formula: 27115-50-0

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On July 31, 2019, Cook, Daniel W.; Oram, Kelson G.; Rutan, Sarah C.; Stoll, Dwight R. published an article.Recommanded Product: 27115-50-0 The title of the article was Rational design of mixtures for chromatographic peak tracking applications via multivariate selectivity. And the article contained the following:

Chromatog. characterization and parameterization studies targeting many solutes require the judicious choice of operating conditions to minimize anal. time without compromising the accuracy of the results. To minimize anal. time, solutes are often grouped into a small number of mixtures; however, this increases the risk of peak overlap. While multivariate curve resolution methods are often able to resolve analyte signals based on their spectral qualities, these methods require that the chromatog. overlapped compounds have dissimilar spectra. In this work, a strategy for grouping compounds into sample mixtures containing solutes with distinct spectral and, optionally, with distinct chromatog. properties, in order to ensure successful solute resolution either chromatog. or with curve resolution methods is proposed. We name this strategy rational design of mixtures (RDM). RDM utilizes multivariate selectivity as a metric for making decisions regarding group membership (i.e., whether to add a particular solute to a particular sample). A group of 97 solutes was used to demonstrate this strategy. Utilizing both estimated chromatog. properties and measured spectra to group these 97 analytes, only 12 groups were required to avoid a situation where two or more solutes in the same group could not be resolved either chromatog. (i.e., they have significantly different retention times) or spectrally (i.e., spectra are different enough to enable resolution by curve resolution methods). When only spectral properties were utilized (i.e., the chromatog. properties are unknown ahead of time) the number of groups required to avoid unresolvable overlaps increased to 20. The grouping strategy developed here will improve the time and instrument efficiency of studies that aim to obtain retention data for solutes as a function of operating conditions, whether for method development or determination of the chromatog. parameters of solutes of interest (e.g., kw). The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Recommanded Product: 27115-50-0

The Article related to analyte adsorption chromatog spectra, multivariate curve resolution, net analyte signal, rational design of mixtures, Organic Analytical Chemistry: Detections and other aspects.Recommanded Product: 27115-50-0

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On April 30, 2015, Schantz, Michele M.; Benner, Bruce A. Jr.; Heckert, N. Alan; Sander, Lane C.; Sharpless, Katherine E.; Vander Pol, Stacy S.; Vasquez, Y.; Villegas, M.; Wise, Stephen A.; Alwis, K. Udeni; Blount, Benjamin C.; Calafat, Antonia M.; Li, Zheng; Silva, Manori J.; Ye, Xiaoyun; Gaudreau, Eric; Patterson, Donald G. Jr.; Sjodin, Andreas published an article.Formula: C10H11NO3 The title of the article was Development of urine standard reference materials for metabolites of organic chemicals including polycyclic aromatic hydrocarbons, phthalates, phenols, parabens, and volatile organic compounds. And the article contained the following:

Two new Standard Reference Materials (SRMs), SRM 3672 Organic Contaminants in Smokers’ Urine (Frozen) and SRM 3673 Organic Contaminants in Non-Smokers’ Urine (Frozen), have been developed in support of studies for assessment of human exposure to select organic environmental contaminants. Collaborations among three organizations resulted in certified values for 11 hydroxylated polycyclic aromatic hydrocarbons (OH-PAHs) and reference values for 11 phthalate metabolites, 8 environmental phenols and parabens, and 24 volatile organic compound (VOC) metabolites. Reference values are also available for creatinine and the free forms of caffeine, theobromine, ibuprofen, nicotine, cotinine, and 3-hydroxycotinine. These are the first urine Certified Reference Materials characterized for metabolites of organic environmental contaminants. Noteworthy, the mass fractions of the environmental organic contaminants in the two SRMs are within the ranges reported in population survey studies such as the National Health and Nutrition Examination Survey (NHANES) and the Canadian Health Measures Survey (CHMS). These SRMs will be useful as quality control samples for ensuring compatibility of results among population survey studies and will fill a void to assess the accuracy of anal. methods used in studies monitoring human exposure to these organic environmental contaminants. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Formula: C10H11NO3

The Article related to urine metabolite pah phthalate phenol paraben volatile standard reference, Toxicology: Methods (Including Analysis) and other aspects.Formula: C10H11NO3

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