Tag: 100-200

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

De Jesus, Victor R.; Bhandari, Deepak; Zhang, Luyu; Reese, Christopher; Capella, Kimberly; Tevis, Denise; Zhu, Wanzhe; Del Valle-Pinero, Arseima Y.; Lagaud, Guy; Chang, Joanne T.; van Bemmel, Dana; Kimmel, Heather L.; Sharma, Eva; Goniewicz, Maciej L.; Hyland, Andrew; Blount, Benjamin C. published an article in 2020, the title of the article was Urinary biomarkers of exposure to volatile organic compounds from the population assessment of tobacco and health study wave 1 (2013-2014).Related Products of 27115-50-0 And the article contains the following content:

Volatile organic compounds (VOCs) are ubiquitous in the environment. In the United States (U.S.), tobacco smoke is the major non-occupational source of exposure to many harmful VOCs. Exposure to VOCs can be assessed by measuring their urinary metabolites (VOCMs). The Population Assessment of Tobacco and Health (PATH) Study is a U.S. national longitudinal study of tobacco use in the adult and youth civilian non-institutionalized population. We measured 20 VOCMs in urine specimens from a subsample of adults in Wave 1 (W1) (2013-2014) to characterize VOC exposures among tobacco product users and non-users. We calculated weighted geometric means (GMs) and percentiles of each VOCM for exclusive combustible product users (smokers), exclusive electronic cigarette (e-cigarette) users, exclusive smokeless product users, and tobacco product never users. We produced linear regression models for six VOCMs with sex, age, race, and tobacco user group as predictor variables. Creatinine-ratioed levels of VOCMs from exposure to acrolein, crotonaldehyde, isoprene, acrylonitrile, and 1,3-butadiene were significantly higher in smokers than in never users. Small differences of VOCM levels among exclusive e-cigarette users and smokeless users were observed when compared to never users. Smokers showed higher VOCM concentrations than e-cigarette, smokeless, and never users. Urinary VOC metabolites are useful biomarkers of exposure to harmful VOCs. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Related Products of 27115-50-0

The Article related to volatile oragnic compound metabolite biomarker tobacco smoke adult population, path study, e-cigarette users, smokeless tobacco users, tobacco smoke exposure, volatile organic compound metabolites and other aspects.Related Products of 27115-50-0

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

On September 1, 2021, Lu, Xiaogang; Zhang, Zixuan; Liu, Haibo; Tang, Hui; Gao, Runli; Pei, Chengxin; Wang, Hongmei; Xiao, Junhua published an article.Product Details of 685-91-6 The title of the article was Forensic signatures of a chemical weapon precursor DMPADC for determination of a synthetic route. And the article contained the following:

Chem. forensics has been widely recognized as an important tool to investigate alleged use of chem. weapons and/or to identify the illicit production of chem. warfare agents. This paper describes the use of gas chromatog. and mass spectrometry (GC-MS) to determine chem. attribution signatures (CAS) N,N-dimethylphosphoramidic dichloride (DMPADC), a key precursor of tabun, for tracking the production of tabun. Synthetic samples were identified and classified by using GC-MS and chemometrics. Anal. samples (n = 27) were collected from three synthetic DMPADC routes; 20 potential CAS were identified, and the structures of five CAS were assigned. Principal component anal. (PCA) was performed to summarize the distribution trend of the samples and to check for the presence of outliers. A Partial least squares discriminant anal. (PLSDA) model was established to discriminate and classify the synthetic samples. The proposed model in this paper has high predictive ability, and the test set samples can be correctly categorized. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Product Details of 685-91-6

The Article related to dimethylphosphoramidic dichloride forensic analysis gas chromatog mass spectrometry, chemical attribution signatures, chemical forensics, chemometrics, n,n-dimethylphosphoramidic dichloride, tabun and other aspects.Product Details of 685-91-6

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Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

On July 28, 2017, Liu, He; Qu, Menghua; Xu, Lina; Han, Xu; Wang, Changyuan; Shu, Xiaohong; Yao, Jihong; Liu, Kexin; Peng, Jinyong; Li, Yanxia; Ma, Xiaodong published an article.Product Details of 16230-24-3 The title of the article was Design and synthesis of sulfonamide-substituted diphenylpyrimidines (SFA-DPPYs) as potent Bruton’s tyrosine kinase (BTK) inhibitors with improved activity toward B-cell lymphoblastic leukemia. And the article contained the following:

A new series of diphenylpyrimidine derivatives (SFA-DPPYs) were synthesized by introducing a functional sulfonamide into the C-2 aniline moiety of pyrimidine template, and then were biol. evaluated as potent Bruton’s tyrosine kinase (BTK) inhibitors. Among these mols., inhibitors 10c, 10i, 10j and 10k (I – IV, resp.) displayed high potency against the BTK enzyme, with IC50 values of 1.18 nM, 0.92 nM, 0.42 nM and 1.05 nM, resp. In particular, compound 10c could remarkably inhibit the proliferation of the B lymphoma cell lines at concentrations of 6.49 μM (Ramos cells) and 13.2 μM (Raji cells), and was stronger than the novel agent spebrutinib. In addition, the inhibitory potency toward the normal PBMC cells showed that inhibitor 10c possesses low cell cytotoxicity. All these explorations indicated that mol. 10c could serve as a valuable inhibitor for B-cell lymphoblastic leukemia treatment. The experimental process involved the reaction of N-(3-Aminophenyl)acrylamide(cas: 16230-24-3).Product Details of 16230-24-3

The Article related to sulfonamide phenylpyrimidine bruton tyrosine kinase inhibitor lymphoblastic leukemia, b cell lymphoblastic leukemia sulfonamide phenylpyrimidine, btk, inhibitor, leukemia, pyrimidine, sulfonamide and other aspects.Product Details of 16230-24-3

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

On July 1, 2021, Chiu, Chun-Hui; Chen, Chi-Tsung; Cheng, Ming-Huei; Pao, Li-Heng; Wang, Chi; Wan, Gwo-Hwa published an article.Electric Literature of 27115-50-0 The title of the article was Use of urinary hippuric acid and o-/p-/m-methyl hippuric acid to evaluate surgical smoke exposure in operating room healthcare personnel. And the article contained the following:

Toluene and xylene are common components of surgical smoke, whereas hippuric acid (HA) and methylhippuric acid (MHA) are the products of toluene and xylene metabolism in humans, resp. HA and MHA can be used as indicators to evaluate the exposure hazards of toluene and xylene. In this study, we used liquid chromatog. tandem mass spectrometry (LC-MS/MS) to simultaneously analyze the HA, o-/m-/p-MHA, and creatinine contents in the urine of healthcare personnel. Concentrations of HA and o-/m-/p-MHAs were normalized to those of creatinine and used to analyze urine samples of 160 operating room (OR) healthcare personnel, including administrative staff, surgical nurses, nurse anesthetists, and surgeons. The results showed that the five analytes could be accurately separated and exhibited good linearity (r > 0.9992). The rate of recovery was between 86% and 106%, and the relative standard deviation was less than 5%. Urine from administrative staff presented the highest median concentration of hippuric acid (0.25 g/g creatinine); this was significantly higher than that found in the urine of surgeons (0.15 g/g). The concentrations of urinary o-/m-/p-MHAs in surgical nurses were higher than those in administrative staff, nurse anesthetists, and surgeons. Furthermore, the type, sex, and age of healthcare personnel were associated with changes in urine HA and o-/m-/p-MHA concentrations Healthcare personnel should be aware of the risk of exposure to surgical smoke. 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 methyl hippuric acid surgical smoke occupational health hazard, high-performance liquid chromatography tandem mass spectrometry, hippuric acid, methylhippuric acid, operating room, surgical smoke and other aspects.Electric Literature of 27115-50-0

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

On June 1, 2022, Sai Kumar, Gobbilla; Bhattacharjee, Jayeeta; Kumari, Kusum; Moorthy, Shruti; Bandyopadhyay, Ayan; Kumar Singh, Saurabh; Panda, Tarun K. published an article.Category: amides-buliding-blocks The title of the article was Hydroboration of nitriles, esters, and amides catalyzed by simple neosilyllithium. And the article contained the following:

We present here an efficient method for the hydroboration of organic nitriles, carboxylic esters, and carboxamides with pinacolborane (HBpin) using an alkali metal catalyst, neosilyllithium (LiCH2SiMe3), in neat reaction conditions. The reactions were accomplished with efficient catalytic reactivity and demonstrated by neosilyllithium at room temperature, in solvent-free condition, to afford a high yield of the corresponding N-boryl amines, boryl ethers, and amine hydrochlorides. The protocol for the catalytic reaction presented in this paper is simple and efficient, with diverse substrate scope for nitriles, carboxylic esters, and carboxamides showing excellent functional group tolerance. DLPNO-CCSD(T) calculations were also performed, showing that the hydroboration of nitriles catalyzed by neosilyllithium occurs through the pre-coordination of the nitrile at Lewis acid lithium followed by hydride migration from the B-H entity. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Category: amides-buliding-blocks

The Article related to hydroboration nitrile ester amide preparation aralkyl amine alc, lithium organometallic catalyst hydroboration reduction nitrile ester amide, crystal mol optimized structure picolyl diborylamine and other aspects.Category: amides-buliding-blocks

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

Mut, Ludmila; Grobosch, Thomas; Binscheck-Domass, Torsten; Frenzel, Wolfgang published an article in 2016, the title of the article was Toxicological screening of human plasma by on-line SPE-HPLC-DAD: identification and quantification of acidic and neutral drugs.Category: amides-buliding-blocks And the article contains the following content:

A multi-analyte screening method for the quantification of 50 acidic/neutral drugs in human plasma based on online solid-phase extraction (SPE)-HPLC with photodiode array detection (DAD) was developed, validated and applied for clin. investigation. Acetone and methanol for protein precipitation, three different SPE materials (two electro-neutral, one strong anion-exchange, one weak cation-exchange) for online extraction, five HPLC-columns [one C18 (GeminiNX), two phenyl-hexyl (Gemini C6-Ph, Kinetex Phenyl-Hexyl) and two pentafluorophenyl (LunaPFP(2), KinetexPFP)] for anal. separation were tested. For sample pre-treatment, acetone in the ratio 1:2 (plasma:acetone) showed a better baseline and fewer matrix peaks in the chromatogram than methanol. Only the strong anion-exchanger SPE cartridge (StrataX-A, pH 6) allowed the extraction of salicylic acid. Anal. separation was carried out on a Gemini C6-Ph column (150 × 4.6 mm, 3 μm) using gradient elution with acetonitrile-water 90:10 (volume/volume) and phosphate buffer (pH 2.3). Linear calibration curves with correlation coefficients r ≥ 0.9950/0.9910 were obtained for 46/four analytes. Addnl., this method allows the quantification of 23 analytes for therapeutic drug monitoring. Limits of quantitation ranged from 0.1 (amobarbital) to 23 mg/L (salicylic acid). Inter-/intra-day precisions of quality control samples (low/high) were better than 13% and accuracy (bias) ranged from -14 to 10%. A computer-assisted database was created for automated detection of 223 analytes of toxicol. interests. Four cases of multi-drug intoxications are presented. Copyright © 2015 John Wiley & Sons, Ltd. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Category: amides-buliding-blocks

The Article related to drug toxicol screening human plasma spe hplc dad, acidic and neutral drugs, multi-analyte screening, on-line solid-phase extraction, plasma samples, systematic toxicological analysis, validation and other aspects.Category: amides-buliding-blocks

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

On October 13, 2016, Ferguson, Fleur M.; Ni, Jing; Zhang, Tinghu; Tesar, Bethany; Sim, Taebo; Kim, Nam Doo; Deng, Xianming; Brown, Jennifer R.; Zhao, Jean J.; Gray, Nathanael S. published an article.COA of Formula: C9H10N2O The title of the article was Discovery of a Series of 5,11-Dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-ones as Selective PI3K-δ/γ Inhibitors. And the article contained the following:

Dual inhibition of PI3K-δ and PI3K-γ is an established therapeutic strategy for treatment of hematol. malignancies. Reported mols. targeting PI3K-δ/γ selectively are chem. similar and based upon isoquinolin-1(2H)-one or quinazolin-4(3H)-one scaffolds. Here we report a chem. distinct series of potent, selective PI3K-δ/γ inhibitors based on a 5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one scaffold with comparable biochem. potency and cellular effects on PI3K signaling. We envisage these mols. will provide useful leads for development of next-generation PI3K-δ/γ targeting therapeutics. The experimental process involved the reaction of N-(3-Aminophenyl)acrylamide(cas: 16230-24-3).COA of Formula: C9H10N2O

The Article related to pi3k delta gamma inhibitor benzopyrimidodiazepinone preparation structure activity kinome, pi3k-γ, pi3k-δ, kinase inhibitor, p110-γ, p110-δ, phosphatidylinositol-4,5-bisphosphate 3-kinase-delta and other aspects.COA of Formula: C9H10N2O

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 July 9, 2009, De Vries, Andreas Hendrikus Maria; Domin, Doris; Helms, Matthias; Imboden, Christoph; Koberstein, Ralf; Nazir, Zarghun; Skranc, Wolfgang; Stanek, Michael; Tschebull, Wilhelm; Verzijl, Gerardus Karel Maria published a patent.Synthetic Route of 65645-88-7 The title of the patent was Process for preparation of (S)-6,7-dimethoxy-1-[2-(4-trifluoromethylphenyl)ethyl]-1,2,3,4-tetrahydro-1H-isoquinoline acetate via asymmetric hydrogenation. And the patent contained the following:

(S)-6,7-dimethoxy-1-[2-(4-trifluoromethylphenyl)ethyl]-1,2,3,4-tetrahydro-1H-isoquinoline acetate was prepared via asym. hydrogenation of 6,7-dimethoxy-1-[2-(4-trifluoromethylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline in the presence of bis(chloro-1,5-cyclooctadieneiridium), (S)-1-dicyclohexylphosphino-2-[(S)-α-(dimethylamino)-2-(dicyclohexylphosphino)benzyl]ferrocene, iodine, and a solvent under 1-200 bar H2. The above reaction was carried out at 5 bar H2 and 30° in CH2Cl2 with a I2/Ir ratio of 2:1 to give the title product in 95% enantiomeric excess with 100% conversion. The experimental process involved the reaction of (S)-2-Hydroxy-N-methyl-2-phenylacetamide(cas: 65645-88-7).Synthetic Route of 65645-88-7

The Article related to phenethyldihydroisoquinoline asym hydrogenation iridium phosphinoferrocene catalyst, methoxytrifluoromethylphenylethyltetrahydroisoquinoline acetate chiral preparation, almorexant hydrochloride preparation and other aspects.Synthetic Route of 65645-88-7

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