Category: 27115-50-0

On June 30, 2021, Tevis, Denise S.; Flores, Sharon R.; Kenwood, Brandon M.; Bhandari, Deepak; Jacob, Peyton 3rd; Liu, Jia; Lorkiewicz, Pawel K.; Conklin, Daniel J.; Hecht, Stephen S.; Goniewicz, Maciej L.; Blount, Benjamin C.; De Jesus, Victor R. published an article.Application In Synthesis of 2-(4-Methylbenzamido)acetic acid The title of the article was Harmonization of acronyms for volatile organic compound metabolites using a standardized naming system. And the article contained the following:

Increased interest in volatile organic compound (VOC) exposure has led to an increased need for consistent, systematic, and informative naming of VOC metabolites. As anal. methods have expanded to include many metabolites in a single assay, the number of acronyms in use for a single metabolite has expanded in an unplanned and inconsistent manner due to a lack of guidance or group consensus. Even though the measurement of VOC metabolites is a well-established means to investigate exposure to VOCs, a formal attempt to harmonize acronyms amongst investigators has not been published. The aim of this work is to establish a system of acronym naming that provides consistency in current acronym usage and a foundation for creating acronyms for future VOC metabolites. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Application In Synthesis of 2-(4-Methylbenzamido)acetic acid

The Article related to volatile organic compound metabolite acronym standardized naming system, acronyms, biomonitoring, mercapturic acids, naming systems, volatile organic compound metabolites, volatile organic compounds and other aspects.Application In Synthesis of 2-(4-Methylbenzamido)acetic acid

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

On December 31, 2022, Zhou, Hao-long; Su, Guan-hua; Zhang, Ru-yi; Di, Dong-sheng; Wang, Qi published an article.COA of Formula: C10H11NO3 The title of the article was Association of volatile organic compounds co-exposure with bone health indicators and potential mediators. And the article contained the following:

Limited evidence was found in the associations of volatile organic compound (VOC) exposure with bone health indicators. This study aimed to explore the associations of individual and combined metabolites of VOCs (mVOCs) in urine, a representative of the internal exposure level of VOCs, with bone mineral d. (BMD), osteoporosis (OP) and fracture, and potential mediators. Data of the National Health Examination and Nutrition Survey 2005-2006 and 2013-2014 was used. Multiple linear and logistic regression modeling were performed to analyze the associations of individual mVOC with bone health indicators. The least absolute shrinkage and selection operator (LASSO) regression was adopted to select mVOCs that were more relevant to bone health indicators for further weight quantile sum (WQS) anal. used for analyzing the associations between multiple VOC co-exposure and bone health indicators. Mediation anal. was used to identify potential mediators. Seventeen mVOC members with detection rate of >50% in urine of all 3478 participants aged ≥20 years (1829 females) were involved. Levels of most mVOCs were higher in women than men. Eight mVOCs were neg. associated with BMDs, and two and four mVOCs were pos. associated with OP and fracture risks, resp. WQS regression revealed decreased femoral neck BMD ( β= -0.010 g/cm2, 95% CI: -0.020, -0.0001) and total spine BMD (β = -0.015 g/cm2, 95% CI: -0.028, -0.002) in response to increasing mVOC mixture levels. And alk. phosphatase (ALP), body mass index (BMI), fasting insulin (FI) and high-d. lipoprotein (HDL), were mediators in the associations with proportions of mediating effect ranging from 4.6% to 10.2%. Individual and combined VOC (co-)exposure were associated with reduced BMDs in American adults. ALP, BMI, FI and HDL were demonstrated to be mediators in the association of multiple VOC co-exposure with BMD. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).COA of Formula: C10H11NO3

The Article related to volatile organic compound bone health indicator body mass index, bone mineral density, co-exposure, mediation, metabolite of volatile organic compound, osteoporosis, weighted quantile sum regression and other aspects.COA of Formula: C10H11NO3

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Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Hu, Yawen; Chen, Jianzhong; Li, Bowen; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin published an article in 2020, the title of the article was Nickel-Catalyzed Asymmetric Hydrogenation of 2-Amidoacrylates.SDS of cas: 27115-50-0 And the article contains the following content:

Earth-abundant nickel, coordinated with a suitable chiral bisphosphine ligand was found to be an efficient catalyst for the asym. hydrogenation of 2-amidoacrylates affording the chiral α-amino acid esters in quant. yields and excellent enantioselectivity (up to 96% ee). The active catalyst component was studied by NMR and HRMS, which helped us to realized high catalytic efficiency on a gram scale with a low catalyst loading (S/C=2000). The hydrogenated products could be simply converted into chiral α-amino acids, β-amino alcs. and their bioactive derivatives Furthermore, the catalytic mechanism was investigated using deuterium-labeling experiments and computational calculations The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).SDS of cas: 27115-50-0

The Article related to amidoacrylate preparation nickel catalyst enantioselective hydrogenation, amido carboxylate preparation, 2-amidoacrylates, asymmetric hydrogenation, chiral α-amino acids, homogeneous catalysis, nickel and other aspects.SDS of cas: 27115-50-0

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

On March 29, 2019, Horner, Anthony R.; Wilson, Rachael E.; Groskreutz, Stephen R.; Murray, Bridget E.; Weber, Stephen G. published an article.COA of Formula: C10H11NO3 The title of the article was Evaluation of three temperature- and mobile phase-dependent retention models for reversed-phase liquid chromatographic retention and apparent retention enthalpy. And the article contained the following:

Predicting retention and enthalpy allows for the simulation and optimization of advanced chromatog. techniques including gradient separations, temperature-assisted solute focusing, multidimensional liquid chromatog., and solvent focusing. In this paper we explore the fits of three expressions for retention as a function of mobile phase composition and temperature to retention data of 101 small mols. in reversed phase liquid chromatog. The three retention equations investigated are those by Neue and Kuss (NK) and two different equations by Pappa-Louisi et al., one based on a partition model (PL-P) and one based on an adsorption model (PL-A). More than 25,000 retention factors were determined for 101 small mols. under various mobile phase and temperature conditions. The pure exptl. uncertainty is very small, approx. 0.22% uncertainty in retention factors measured on the same day (2.1% when performed on different days). Each of the three equations for ln(k) was fit to the exptl. data based on a least-squares approach and the results were analyzed using lack-of-fit residuals. The PL-A model, while complex, gives the best overall fits. In addition to examining the equations’ adequacy for retention, we also examined their use for apparent retention enthalpy. This enthalpy can be predicted by taking the derivative of these expressions with respect to the inverse of absolute temperature The numerical values of the fitted parameters based on retention data can then be used to predict retention enthalpy. These enthalpy predictions were compared to those obtained from a modified van ‘t Hoff equation that included a quadratic term in inverse temperature Based on anal. of 1 211 van ‘t Hoff plots (solute-mobile phase-day combinations), ninety-eight percent showed a significantly better fit when using the modified van ‘t Hoff expression, justifying its use to provide apparent enthalpies as a function of mobile phase composition and temperature The foregoing apparent enthalpies were compared to the apparent enthalpies predicted by the three models. The PL-A model, which contains a temperature dependent enthalpy, provided the best enthalpy prediction. However, there is virtually no correlation between the overall lack of fit to exptl. ln(k) for each model and the corresponding lack of fit of the linear (in 1/T) van ‘t Hoff expression. Thus, the temperature-dependent enthalpy is apparently not the cause of a model’s ability to fit ln(k) as a function of mobile phase composition and temperature The value in these expressions is their ability to predict chromatograms, allowing for optimization of an advanced chromatog. technique. The two simpler models NK and PL-P, which do not contain a temperature dependent enthalpy, have their merits in modeling retention (NK being the better of the two) and enthalpy (PL-P being the better of the two) if a simpler expression is required for a given application. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).COA of Formula: C10H11NO3

The Article related to reversed phase liquid chromatog retention model enthalpy, chromatographic simulation, liquid chromatography, mobile phase composition dependence, retention enthalpy, retention models, temperature dependence and other aspects.COA of Formula: C10H11NO3

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Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On October 25, 2021, Rimnacova, Lucie; Moos, Martin; Opekar, Stanislav; Vodrazka, Petr; Pejchal, Vladimir; Mraz, Jaroslav; Simek, Petr published an article.Computed Properties of 27115-50-0 The title of the article was Ethyl chloroformate mediated gas chromatographic-mass spectrometric biomonitoring of acidic biomarkers of occupational exposure and endogenous metabolites in human urine. And the article contained the following:

Numerous industrial organic pollutants such as aromates, alkoxyalcs., other organic solvents and monomers are absorbed, metabolized, and finally excreted in urine mostly as carboxylic acids that are determined as biomarkers of exposure. For a number of these xenometabolites, biol. limits (levels of biomarkers in biol. material) have been established to prevent damage to human health. Till now, most of the anal. procedures used have been optimized for one or a few analytes. Here, we report a more comprehensive approach enabling rapid GC-MS screening of sixteen acidic biomarkers in urine that are metabolized in the human body from several important industrial chems.; benzene, toluene, styrene, xylenes, alkoxyalcs., carbon disulfide, furfural and N,N-dimethylformamide. The new method involves immediate in situ derivatization – liquid liquid microextraction of urine by an Et chloroformate-ethanol-chloroform-pyridine medium and GC-MS anal. of the derivatized analytes in the lower organic phase. The xenometabolite set represents diverse chem. structures and some of hippuric and mercapturic acids also provided unusual derivatives that were unambiguously elucidated by means of new Et chloroformates labeled with stable isotopes and by synthesis of the missing reference standards In the next step, an automated routine was developed for GC-MS/MS anal. using a MetaboAuto sample preparation workstation and the new method was validated for fourteen metabolites over the relevant concentration range of each analyte in the spiked pooled human urine. It shows good linearity (R2 ≥ 0.982), accuracy (from 85% to 120%), precision (from 0.7% to 20%) and recovery (from 89% to 120%). The method performance was further successfully proved by GC-MS/MS anal. of the certified IP45 and RM6009 reference urines. Moreover, we show that the new method opens up the possibility for biomonitoring of combined and cumulative occupational exposures as well as for urinary metabolite profiling of persons exposed to harmful industrial chems. 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 ethyl chloroformate gcms occupational exposure acidic biomarker metabolite urine, biomarker of occupational exposure, endogenous metabolites, ethyl chloroformate mediated derivatization, urine, xenometabolite and other aspects.Computed Properties of 27115-50-0

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

On January 31, 2013, Spasov, A. A.; Yakovlev, D. S.; Suzdalev, K. F.; Kosolapov, V. A.; Kucheryavenko, A. F.; Gurova, N. A.; Grechko, O. Yu.; Naumenko, L. V.; Kolobrodova, N. A.; Mitina, T. M.; Mal’tsev, D. V.; Babakova, M. N. published an article.Category: amides-buliding-blocks The title of the article was Synthesis and pharmacological activity of amides of 2-amino-3-indolylacrylic acid. And the article contained the following:

Opening of the five-member ring of indolylmethyleneoxazolones with aliphatic amines was used to synthesize a series of amides of 2-amino-3-indolylacrylic acid. These compounds were studied in vitro in relation to the various types of pharmacol. activity typical of this class, including receptor (5-HT2-, 5-HT3-, and P2Y1-ergic, K-opioid), antiaggregant, hemorheol., antiarrhythmic, and antioxidant activities. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Category: amides-buliding-blocks

The Article related to purinoceptor 5ht receptor antiaggregant hemorheol antiarrhythmic antioxidant aminoindolylacrylamide preparation, acrylamide aminoindolyl preparation pharmacol activity, ring opening indolylmethyleneoxazolone aliphatic amine and other aspects.Category: amides-buliding-blocks

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

On August 31, 2015, Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Celik, Oemer; Ersanli, Cem Cueneyt; Glidewell, Christopher published an article.Category: amides-buliding-blocks The title of the article was Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular structures and supramolecular assembly. And the article contained the following:

Syntheses and structures are described for some alkylidene-substituted dihydrooxazolones and dihydroimidazoles derived from simple acylglycines. A second, triclinic, polymorph of 4-benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one, C17H13NO2, (I), has been identified and the structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one, C9H7NO2S, (II), has been rerefined taking into account the orientational disorder of the thienyl group in each of the two independent mols. The reactions of phenylhydrazine with 2-phenyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one or 2-(4-methylphenyl)-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one yield, resp., 3-anilino-2-phenyl-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4H-imidazol-4-one, C10H15N3OS, (III), and 3-anilino-2-(4-methylphenyl)-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4H-imidazol-4-one, C21H17N3OS, (IV), which both exhibit orientational disorder in their thienyl groups. The reactions of 2-phenyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one with hydrazine hydrate or with water yield, resp., N-[3-hydrazinyl-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide and 2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoic acid, which in turn react, resp., with thiophene-2-carbaldehyde to form 2-phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(E)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4H-imidazol-4-one, C19H13N3OS2, (V), which exhibits orientational disorder in only one of its thienyl groups, and with methanol to give Me (2Z)-2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoate, C15H13NO3S, (VI). There are no direction-specific intermol. interactions in the crystal structure of the triclinic polymorph of (I), but the mols. of (II) are linked by two independent C-H···O hydrogen bonds to form C 2 2(14) chains. Compounds (III) and (IV) both form centrosym. R 2 2(10) dimers built from N-H···O hydrogen bonds, while compound (V) forms a centrosym. R 2 2(10) dimer built from C-H···O hydrogen bonds. In the structure of compound (VI), a combination of N-H···O and C-H···π(arene) hydrogen bonds links the mols. into sheets. Comparisons are made with some similar compounds The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Category: amides-buliding-blocks

The Article related to dihydrooxazolone dihydroimidazolone acylglycine mol structure supramol assembly, erlenmeyer azlactones, crystal structure, hydrogen bonding, imidazolones, orientational disorder, oxazolones, supramolecular assembly and other aspects.Category: amides-buliding-blocks

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

On April 3, 2018, Lamie, Phoebe F.; Philoppes, John N.; Rarova, Lucie published an article.Application In Synthesis of 2-(4-Methylbenzamido)acetic acid The title of the article was Design, synthesis, and biological evaluation of novel 1,2-diaryl-4-substituted-benzylidene-5(4H)-imidazolone derivatives as cytotoxic agents and COX-2/LOX inhibitors. And the article contained the following:

A new series of 1,2-diaryl-4-substituted-benzylidene-5(4H)-imidazolone derivatives I (R = H, Me; R1 = H, OMe, Cl; X = O, S) was synthesized. Their cytotoxic activities in vitro were evaluated against breast, ovarian, and liver cancer cell lines and also against normal human skin fibroblasts. Cyclooxygenase (COX)-1, COX-2 and lipoxygenase (LOX) inhibitory activities were measured. The synthesized compounds showed selectivity toward COX-2 rather than COX-1, and the IC50 values (0.25-1.7 μM) were lower than that of indomethacin (IC50 = 9.47 μM) and somewhat higher than that of celecoxib (IC50 = 0.071 μM). The selectivity index for COX-2 of the oxazole derivative I (R = Me; R1 = OMe; X = O) (SI = 3.67) was nearly equal to that of celecoxib (SI = 3.66). For the LOX inhibitory activity, the new compounds showed IC50 values of 0.02-74.03 μM, while the IC50 of the reference zileuton was 0.83 μM. The most active compound I (R = H; R1 = Cl; X = O) was found to have dual COX-2/LOX activity. All the synthesized compounds were docked inside the active site of the COX-2 and LOX enzymes. They linked to COX-2 through the N atom of the azole scaffold, while C=O of the oxazolone moiety was responsible for the binding to amino acids inside the LOX active site. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Application In Synthesis of 2-(4-Methylbenzamido)acetic acid

The Article related to benzylidene imidazolone preparation antiinflammatory antitumor mol docking human, cyclooxygenase lipoxygenase inhibitor, anti-inflammatory, cytotoxicity, diaryl imidazolone derivatives, molecular docking study and other aspects.Application In Synthesis of 2-(4-Methylbenzamido)acetic acid

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Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Cavallo, Delia; Ursini, Cinzia Lucia; Fresegna, Anna Maria; Ciervo, Aureliano; Maiello, Raffaele; Buresti, Giuliana; Paci, Enrico; Pigini, Daniela; Gherardi, Monica; Carbonari, Damiano; Sisto, Renata; Tranfo, Giovanna; Iavicoli, Sergio published an article in 2021, the title of the article was Occupational exposure in industrial painters: sensitive and noninvasive biomarkers to evaluate early cytotoxicity, genotoxicity and oxidative stress.Electric Literature of 27115-50-0 And the article contains the following content:

This study aimed to identify sensitive and noninvasive biomarkers of early cyto-genotoxic, oxidative and inflammatory effects for exposure to volatile organic compounds (VOCs) in shipyard painters. On 17 (11 spray and 6 roller) painters (previously characterized for VOCs exposure to toluene, xylenes, ethylbenzene, Et acetate) and on 18 controls, we performed buccal micronucleus cytome (BMCyt) assay; Fpg-comet assay on lymphocytes; detection of urinary 8-oxoGua (8-oxo-7,8-dihydroguanine), 8-oxodGuo (8-oxo-7,8-dihydro-2′-deoxyguanosine) and 8-oxoGuo (8-oxo-7,8-dihydroguanosine), and cytokines release on serum. We found induction of cyto-genotoxicity by BMCyt assay and inflammatory effects (IL-6 and TNFα) in roller painters exposed to lower VOC concentrations than spray painters. In contrast, in both worker groups, we found direct and oxidative DNA damage by comet assay (with slightly higher oxidative DNA damage in roller) and significant increase of 8-oxoGuo and decrease of 8-oxodGuo and 8-oxoGua in respect to controls. The cyto-genotoxicity observed only on buccal cells of roller painters could be related to the task’s specificity and the different used protective equipment. Although limited by the small number of subjects, the study shows the usefulness of all the used biomarkers in the risk assessment of painters workers exposed to complex mixtures The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Electric Literature of 27115-50-0

The Article related to volatile organic compound biomarker cytotoxicity genotoxicity oxidative stress, bmcyt assay, fpg comet assay, biological monitoring, occupational vocs exposure, oxidative stress biomarkers, painters, proinflammatory effects and other aspects.Electric Literature of 27115-50-0

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Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On November 30, 2015, Chen, Shijie; He, Long; Wang, Xuewei; Gong, Xianfeng; Zhang, Hua published an article.HPLC of Formula: 27115-50-0 The title of the article was Synthesis and cytotoxic activity of imatinib derivatives. And the article contained the following:

Fourteen derivatives of imatinib were prepared by condensation of (L)-N-acylation amino acid with N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine amine (6), which was prepared from 3-acetyl-pyrimidin and 2-methyl-5-nitroaniline through the reactions of addition, condensation, cyclization and reduction, resp. The structures of all target compounds were characterized by IR, 1H NMR, 13C NMR and HRMS techniques. They were evaluated for cytotoxic activity against human Leukemia cells (K562), human non-small-cell-lung cancer cells lines (A549) and human hepatoma cell lines (HepG-2) by Me thiazolyl tetrazolium (MTT) method. The results showed the cytotoxic activities of compounds I, 7i, 7j, 7k, 7l, 7n against human Leukemia cells (K562) and human non-small-cell-lung cancer cell lines (A549), compounds 7a, I, 7e against human hepatoma cell lines (HepG-2) were comparable to those of imatinib. 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 imatinib derivative preparation antitumor cytotoxic activity leukemia lung cancer, amino acid aminomethylphenylpyridylpyrimidine amine acylation, acetylpyrimidin methylnitroaniline addition condensation cyclization reduction and other aspects.HPLC of Formula: 27115-50-0

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Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics