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Authors Yadav, MS; Singh, SK; Agrahari, AK; Singh, AS; Tiwari, VK in GEORG THIEME VERLAG KG published article about in [Yadav, Mangal S.; Singh, Sumt K.; Agrahari, Anand K.; Singh, Anoop S.; Tiwari, Vinod K.] Banaras Hindu Univ, Inst Sci, Dept Chem, Varanasi 221005, Uttar Pradesh, India in 2021.0, Cited 64.0. Recommanded Product: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A diverse range of ureas, N-acylureas, carbamates, and thiocarbamates has been synthesized in good to excellent yields by reacting N-acylbenzotriazoles individually with amines or amides or phenols or thiols in the presence of diphenylphosphoryl azide (DPPA) as a suitable azide donor in anhydrous toluene at 110 degrees C for 3-4 hours. In this route, DPPA was found to be a good alternative to trimethylsilyl azide and sodium azide for the azide donor in Curtius degradation. The high reaction yields, one-pot and metal-free conditions, straightforward nature, easy handling, use of readily available reagents, and in many cases avoidance of column chromatography are the notable features of the devised protocol.

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Authors Liu, CW; Ji, CL; Zhou, TL; Hong, X; Szostak, M in WILEY-V C H VERLAG GMBH published article about in [Liu, Chengwei; Zhou, Tongliang; Szostak, Michal] Rutgers State Univ, Dept Chem, 73 Warren St, Newark, NJ 07102 USA; [Ji, Chong-Lei; Hong, Xin] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China in 2021, Cited 92. HPLC of Formula: C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Cooperative bimetallic catalysis is a fundamental approach in modern synthetic chemistry. We report bimetallic cooperative catalysis for the direct decarbonylative heteroarylation of ubiquitous carboxylic acids via acyl C-O/C-H coupling. This novel catalytic system exploits the cooperative action of a copper catalyst and a palladium catalyst in decarbonylation, which enables highly chemoselective synthesis of important heterobiaryl motifs through the coupling of carboxylic acids with heteroarenes in the absence of prefunctionalization or directing groups. This cooperative decarbonylative method uses common carboxylic acids and shows a remarkably broad substrate scope (>70 examples), including late-stage modification of pharmaceuticals and streamlined synthesis of bioactive agents. Extensive mechanistic and computational studies were conducted to gain insight into the mechanism of the reaction. The key step involves intersection of the two catalytic cycles via transmetallation of the copper-aryl species with the palladium(II) intermediate generated by oxidative addition/decarbonylation.

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Formula: C8H8O2. I found the field of Chemistry very interesting. Saw the article Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form beta-Branched Arylethylamine Backbones published in 2019, Reprint Addresses Zhao, YS (corresponding author), Soochow Univ, Coll Chem Chem Engn & Mat Sci, Key Lab Organ Synth Jiangsu Prov, Suzhou 215123, Peoples R China.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid.

A palladium-catalyzed carboxylic acid-directed cross-coupling of an ortho-C(sp(2)) atom of aromatic acids with aliphatic aziridines to construct the beta-arylethylamine skeleton via C-H activation has been developed. The reaction proceeded under mild conditions with great substrate scope. Meanwhile, the beta-arylethylamine skeleton in drugs or bioactive compounds could be easily generated in a single step. A catalytic amount of cesium carbonate was crucial to realizing the selective beta-arylethylamine synthesis.

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An article Inhibition potential of phenyl linked benzimidazole-triazolothiadiazole modular hybrids against beta-glucuronidase and their interactions thereof WOS:000572832200005 published article about IN-VITRO EVALUATION; ALPHA-GLUCOSIDASE INHIBITION; MOLECULAR DOCKING; BIOLOGICAL EVALUATION; SCHIFF-BASES; DERIVATIVES; ACETYLCHOLINESTERASE; THIOSEMICARBAZIDES; CHILDREN; ANALOGS in [Taha, Muhammad] Imam Abdulrahman Bin Faisal Univ, Inst Res & Med Consultat IRMC, Dept Clin Pharm, POB 1982, Dammam 31441, Saudi Arabia; [Uddin, Nizam] Univ Karachi, Dept Chem, Karachi 75270, Pakistan; [Ali, Muhammad] Univ Nizwa, Nat & Med Sci Res Ctr, POB 33, Birkat Al Mauz 616, Nizwa, Oman; [Anouar, El Hassane] Prince Sattam bin Abdulaziz Univ, Coll Sci & Humanities Al Kharj, Dept Chem, Al Kharj 11942, Saudi Arabia; [Rahim, Fazal] Hazara Univ, Dept Chem, Mansehra 21300, Khyber Pakhtunk, Pakistan; [Khan, Gulraiz] Imam Abdulrahman Bin Faisal Univ, Environm Engn Dept, Coll Engn Bldg A13,POB 1982, Dammam 31441, Saudi Arabia; [Farooq, Rai Khalid] Imam Abdulrahman Bin Faisal Univ, Inst Res & Med Consultat IRMC, Dept Neurosci Res, POB 1982, Dammam 31441, Saudi Arabia; [Gollapalli, Mohammed] Imam Abdulrahman Bin Faisal Univ, Coll Comp Sci & Informat Technol CCSIT, Dept Comp Informat Syst, POB 1982, Dammam 31441, Saudi Arabia; [Iqbal, Naveed] Univ Poonch Rawalakot AJK, Dept Chem, Rawalakot, Pakistan; [Farooq, Muhammad] Hazara Univ, Dept Phys, Mansehra 21300, Khyber Pakhtunk, Pakistan; [Khan, Khalid Mohammed] Univ Karachi, Int Ctr Chem & Biol Sci, HEJ Res Inst Chem, Karachi 75270, Pakistan in 2020, Cited 54. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Category: isothiazole

beta-Glucuronidase is responsible for the catalytic deconjugation of beta-D-glucuronides. beta-Glucuronidase has evolved to be a viable molecular target for numerous therapeutic treatments. It plays a pivotal role in the metabolism of drugs and endogenous substances. Herein, we report the inhibitory potentials of newly developed and modular benzimidazole-triazolothiadiazole hybrids spaced through a phenyl linker (1-26) and their interactions with the beta-glucuronidase. All analogues showed IC50 values in the range of 1.30 +/- 0.10 to 44.10 +/- 0.80 mu M, and hence were found to have outstanding inhibitory potential as compare to the standard D-saccharic acid 1,4-lactone (IC50 = 48.4 +/- 1.25 mu M). These modular hybrids were successfully synthesized, rigorously characterized through various spectroscopic techniques. Molecular docking studies further revealed the potential interactions between the inhibitor and active amino acid site in beta-glucuronidase. These findings helped in identifying the potential for new drug candidates. A Plausible structure activity relationship (SAR) were established which suggested that variation in the inhibitory potential was mainly based upon the substituents attached to the phenyl ring. (C) 2020 Elsevier B.V. All rights reserved.

Category: isothiazole. Welcome to talk about 99-04-7, If you have any questions, you can contact Taha, M; Uddin, N; Ali, M; Anouar, E; Rahim, F; Khan, G; Farooq, RK; Gollapalli, M; Iqbal, N; Farooq, M; Khan, KM or send Email.

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Isothiazole – Wikipedia,
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He, DM; Guo, Y; Chen, QY; Yang, H; Lv, T in [He, Dongmei; Yang, Hu] Sichuan Univ Sci & Engn, Coll Chem Engn, 180 Xueyuan Rd, Zigong 643000, Peoples R China; [Guo, Yong; Chen, Qing-Yun] Chinese Acad Sci, Key Lab Organofluorine Chem, Shanghai Inst Organ Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China; [Lv, Tao] Sanming Hexafluo Chem Co LTD, Fluorinated New Mat Ind Pk, Mingxi 365200, Fujian, Peoples R China published Visible light promoted iodofluoroalkylation of alkenes with iodo-3-oxaperfluoroalkanesulphonates in 2019.0, Cited 41.0. Recommanded Product: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Iodo-3-oxa-perfluoroalkanesulfonyl fluorides (I(CF2CF2)(n+1)OCF2CF2SO2F, n = 0, 1, 2, 3) was functionalized by phenol to provide phenyl fluoroalkanesulfonate. The ATRA reaction of I(CF2CF2)(n+1)OCF2CF2SO3Ph with alkenes was realized by visible light phototcatalysis with Ru(ppy)(3)Cl-2.

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Formula: C8H8O2. Recently I am researching about ONE-POT SYNTHESIS; C-H AMINATION; O-AMINOBENZAMIDES; RUTHENIUM; FUNCTIONALIZATION; INHIBITORS; AMIDATION; REDUCTASE; CHEMISTRY; COMPOUND, Saw an article supported by the . Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Hu, FP; Cui, XF; Lu, GQ; Huang, GS. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

A one-pot protocol has been developed for the synthesis of quinazolinones from amide-oxazolines with TsClviaa cyclic 1,3-azaoxonium intermediate and 6 pi electron cyclization in the presence of a Lewis acid and base. The process is operationally simple and has a broad substrate scope. This method provides a unique strategy for the construction of quinazolinones.

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Luo, SS; Xu, ST; Liu, JK; Ma, FF; Zhu, YZ in [Luo, Shanshan] Nanjing Med Univ, Key Lab Cardiovasc & Cerebrovasc Med, 101 Longmian Ave, Nanjing 211166, Peoples R China; [Xu, Shengtao; Liu, Junkai] China Pharmaceut Univ, State Key Lab Nat Med, 24 Tong Jia Xiang, Nanjing 210009, Peoples R China; [Xu, Shengtao; Liu, Junkai] China Pharmaceut Univ, Dept Med Chem, 24 Tong Jia Xiang, Nanjing 210009, Peoples R China; [Ma, Fenfen] Fudan Univ, Shanghai Pudong Hosp, Dept Pharm, Shanghai 201399, Peoples R China; [Luo, Shanshan; Zhu, Yi Zhun] Macau Univ Sci & Technol, Pharm, Taipa, Macao, Peoples R China; [Luo, Shanshan; Zhu, Yi Zhun] Macau Univ Sci & Technol, State Key Lab Qual Res Chinese Med, Taipa, Macao, Peoples R China; [Luo, Shanshan; Zhu, Yi Zhun] Fudan Univ, Sch Pharm, Dept Pharmacol, Shanghai 200032, Peoples R China published Design and synthesis of novel SCM-198 analogs as cardioprotective agents: Structure-activity relationship studies and biological evaluations in 2020.0, Cited 31.0. Application In Synthesis of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

SCM-198 (Leonurine) has attracted great attention due to its cardioprotective effects in myocardial infarction (MI). However, no systematic modifications and structure-activity relationship (SAR) studies could be traced so far. In this study, 35 analogs of SCM-198 were designed, synthesized and their cardioprotective effects were evaluated. The cell viability assay on cardiomyocyte cell line H9c2 challenged with H2O2 showed that several analogs exhibited more potent cytoprotective effects than SCM-198 at 1 mu M and 10 mu M concentrations. LDH release level in cells treated with 1 mu M 14o was comparable with cells treated with 10 mu M SCM-198. Results of Bcl-2 expression and caspase-3 activation accordingly indicated higher protective activity of 14o than SCM-198. Moreover, in a mouse model of MI, the mice pretreated with 14o had much lower infarct size compared with that of SCM-198. The mechanism study suggested that 14o improved cardiac morphology and reduced apoptosis of cardiomyocytes in the border zone of infarction, as proved by H&E and TUNEL staining. (C) 2020 Elsevier Masson SAS. All rights reserved.

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Recommanded Product: 99-04-7. Authors Kamiya, Y; Handa, K; Miura, T; Yanagi, M; Shigeta, K; Hina, S; Shimizu, M; Kitajima, M; Shono, F; Funatsu, K; Yamazaki, H in AMER CHEMICAL SOC published article about in [Kamiya, Yusuke; Miura, Tomonori; Yanagi, Mayu; Shigeta, Kazuki; Hina, Shiori; Shimizu, Makiko; Yamazaki, Hiroshi] Showa Pharmaceut Univ, Lab Drug Metab & Pharmacokinet, Tokyo 1948543, Japan; [Handa, Kentaro; Kitajima, Masato] Fujitsu Kyusyu Syst, Fukuoka 8120007, Japan; [Shono, Fumiaki; Funatsu, Kimito] Univ Tokyo, Sch Engn, Dept Chem Syst Engn, Tokyo 1138656, Japan in 2021, Cited 28. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Recently developed computational models can estimate plasma, hepatic, and renal concentrations of industrial chemicals in rats. Typically, the input parameter values (i.e., the absorption rate constant, volume of systemic circulation, and hepatic intrinsic clearance) for simplified physiologically based pharmacokinetic (PBPK) model systems are calculated to give the best fit to measured or reported in vivo blood substance concentration values in animals. The purpose of the present study was to estimate in silico these three input pharmacokinetic parameters using a machine learning algorithm applied to a broad range of chemical properties obtained from several cheminformatics software tools. These in silico estimated parameters were then incorporated into PBPK models for predicting internal exposures in rats. Following this approach, simplified PBPK models were set up for 246 drugs, food components, and industrial chemicals with a broad range of chemical structures. We had previously generated PBPK models for 158 of these substances, whereas 88 for which concentration series data were available in the literature were newly modeled. The values for the absorption rate constant, volume of systemic circulation, and hepatic intrinsic clearance could be generated in silico by equations containing between 14 and 26 physicochemical properties. After virtual oral dosing, the output concentration values of the 246 compounds in plasma, liver, and kidney from rat PBPK models using traditionally determined and in silico estimated input parameters were well correlated (r >= 0.83). In summary, by using PBPK models consisting of chemical receptor (gut), metabolizing (liver), excreting (kidney), and central (main) compartments with in silico-derived input parameters, the forward dosimetry of new chemicals could provide the plasma/tissue concentrations of drugs and chemicals after oral dosing, thereby facilitating estimates of hematotoxic, hepatotoxic, or nephrotoxic potential as a part of risk assessment.

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Authors Wang, JN; Chen, SQ; Liu, ZW; Shi, XY in AMER CHEMICAL SOC published article about MEDIATED DIECKMANN CYCLIZATION; HIGHLY SUBSTITUTED INDANONES; H BOND ALKENYLATIONS; ASYMMETRIC-SYNTHESIS; NAZAROV CYCLIZATION; CARBOXYLIC-ACIDS; ACRYLIC-ACIDS; BENZOIC-ACIDS; N BOND; EFFICIENT in [Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying] Shaanxi Normal Univ, Sch Chem & Chem Engn, Res Ctr Appl Catalysis, Key Lab Macromol Sci Shaanxi Prov, Xian 710062, Shaanxi, Peoples R China in 2019, Cited 70. Safety of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The one-step strategy for the facile syntheses of structurally diverse 1-indanones in moderate to good isolated yields was developed via a ruthenium-catalyzed tandem coupling and cyclization of simple aromatic acids with alpha,beta-unsaturated ketones. The tandem cyclization involves one-pot sequential reactions of C-H activation, conjugate addition, Dieckmann condensation, Michael addition, intramolecular Aldol reaction, or hydrolysis. Switchable access to spiroindanones and 2-substituted 1-indanones could be achieved by manganese additive and H2O. Mn(II) additive is found to play an important role in this transformation, and a trace amount of water can promote the formation of 2-substituted 1-indanones. This process features the one-pot efficient construction of multiple C-C bonds, high step-economy, commercially available starting materials, and a broad substrate scope.

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Bai, ST; Bheeter, CB; Reek, JNH in [Bai, Shao-Tao; Bheeter, Charles B.; Reek, Joost N. H.] Univ Amsterdam, Vant Hoff Inst Mol Sci HIMS, Supramol & Homogeneous Catalysis Grp, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands published Hydrogen Bond Directed ortho-Selective C-H Borylation of Secondary Aromatic Amides in 2019, Cited 76. Recommanded Product: 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Reported is an iridium catalyst for ortho-selective C-H borylation of challenging secondary aromatic amide substrates, and the regioselectivity is controlled by hydrogen-bond interactions. The BAIPy-Ir catalyst forms three hydrogen bonds with the substrate during the crucial activation step, and allows ortho-C-H borylation with high selectivity. The catalyst displays unprecedented ortho selectivities for a wide variety of substrates that differ in electronic and steric properties, and the catalyst tolerates various functional groups. The regioselective C-H borylation catalyst is readily accessible and converts substrates on gram scale with high selectivity and conversion.

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