Category: 99-04-7

An article Fragment based drug design and diversity-oriented synthesis of carboxylic acid isosteres WOS:000595171400002 published article about PK(A) VALUES; BIOLOGICAL EVALUATION; PREDICTION in [Ferri, Martina; Alunno, Manuel; Mammoli, Andrea; Carotti, Andrea; Sardella, Roccaldo; Macchiarulo, Antonio; Camaioni, Emidio] Univ Perugia, Dept Pharmaceut Sci, Via Liceo 1, I-06123 Perugia, Italy; [Greco, Francesco Antonio; Liscio, Paride] TES Pharma, Via P Togliatti 22bis, I-06073 Terrioli, Corciano, Italy; [Saluti, Giorgio] Ist Zooprofilatt Sperimentale Umbria & Marche, Via G Salvemini 1, I-06126 Perugia, Italy in 2020.0, Cited 29.0. Formula: C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The medicinal chemist toolbox is plenty of (bio)isosteres when looking for a carboxylic acid replacement. However, systematic assessment of acid surrogates is often time consuming and expensive, while prediction of both physicochemical properties (logP and logD) as well as acidity would be desirable at early discovery stages for a better analog design. Herein in this work, to enable decision making on a project, we have synthesized by employing a Diversity-Oriented Synthetic (DOS) methodology, a small library of molecular fragments endowed with acidic properties. By combining in-silico and experimental methodologies these compounds were chemically characterized and, particularly, with the aim to know their physicochemical properties, the aqueous ionization constants (pKa), partition coefficients logD and logP of each fragment was firstly estimated by using molecular modeling studies and then validated by experimental determinations. A face to face comparison between data and the corresponding carboxylic acid might help medicinal chemists in finding the best replacement to be used. Finally, in the framework of Fragment Based Drug Design (FBDD) the small library of fragments obtained with our approach showed good versatility both in synthetic and physico-chemical properties.

Formula: C8H8O2. Welcome to talk about 99-04-7, If you have any questions, you can contact Ferri, M; Alunno, M; Greco, FA; Mammoli, A; Saluti, G; Carotti, A; Sardella, R; Macchiarulo, A; Camaioni, E; Liscio, P or send Email.

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In 2020 INORG CHEM published article about EQUILIBRIUM-CONSTANTS; AROMATIC-ACIDS; URANIUM(VI); CRYSTAL; ION; BENZOATE; MODEL; EXAFS in [Choi, Seonggyu; Yun, Jong-Il] Korea Adv Inst Sci & Technol, Dept Nucl & Quantum Engn, Daejeon 34141, South Korea in 2020, Cited 36. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. COA of Formula: C8H8O2

Aqueous complexation of uranyl(VI) ions with methoxy- and methylbenzoates in 0.1 M NaClO4 solutions was studied by means of UV-vis absorption and Raman spectroscopy. The predominance of 1:1 complexation (uranyl to ligand) was verified for all uranyl carboxylates under acidic conditions (-log [H+] < 3.2), and absorption spectra, stability constants, and symmetric stretching frequencies of the uranyl group of the complexes were determined for the first time. For meta- and parasubstituted benzoates, a linear free energy relationship (LFER) was observed between the equilibrium constants for the protonation (log beta(p)) and uranyl complexation (log beta(U)) reactions, and the electronic effects of the substituents were successfully described by the Hammett equation. In the case of ortho-substituted benzoates, the stability constant of uranyl 2-methoxybenzoate is slightly lower than the LFER trend, which is generally explained by the destabilization of cross-conjugation in the uranyl complex due to the steric hindrance between the reaction center and adjacent methoxy group. On the contrary, the stability constant of uranyl 2-methylbenzoate is comparable to the LFER trend, implying that the steric effect is relatively insignificant for the smaller methyl group. The utility of such thermodynamic correlations between the uranyl-substituted benzoates is useful for the molecular understanding and predictive modeling of chemical interactions between actinyl(VI) ions and various organic carboxyl groups. Welcome to talk about 99-04-7, If you have any questions, you can contact Choi, S; Yun, JI or send Email.. COA of Formula: C8H8O2

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Isothiazole – Wikipedia,
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Authors Zhou, X; Xu, HY; Yang, QD; Chen, H; Wang, SF; Zhao, HQ in ROYAL SOC CHEMISTRY published article about DIRECT BETA-ARYLATION; FORM GAMMA-LACTAMS; BOND FUNCTIONALIZATIONS; PROPARGYL ALCOHOLS; SATURATED KETONES; ISOINDOLINONES; DEHYDROGENATION; CARBONYLATION; OLEFINATION; EFFICIENT in [Zhou, Xi; Xu, Hongyan; Yang, Qiaodan; Chen, Hua; Zhao, Huaiqing] Univ Jinan, Sch Chem & Chem Engn, Jinan 250022, Shandong, Peoples R China; [Wang, Shoufeng] Univ Jinan, Shandong Prov Key Lab Fluorine Chem & Chem Mat, Sch Chem & Chem Engn, Jinan 250022, Shandong, Peoples R China in 2019, Cited 64. HPLC of Formula: C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A cobalt and copper catalyzed reaction protocol has been developed to achieve the oxidative C-H/N-H annulation of benzamides containing an 8-aminoquinoline moiety as the directing group with ketones. Structurally diverse isoindolin-1-ones were furnished by the reaction of various substituent benzamides with ketones.

HPLC of Formula: C8H8O2. Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.

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Isothiazole – Wikipedia,
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An article Pyridine-Enabled C-N Bond Activation for the Rapid Construction of Amides and 4-Pyridylglyoxamides by Cooperative Palladium/Copper Catalysis WOS:000543667400038 published article about PEPTIDE COUPLING REAGENTS; ALPHA-KETOAMIDES; CARBOXYLIC-ACIDS; OXIDATIVE CLEAVAGE; AMIDATION; BENZAMIDES; SECONDARY; ALDEHYDES; PRODUCTS; ALCOHOLS in [Song, Liangliang; Claessen, Sander; Van der Eycken, Erik V.] Katholieke Univ Leuven, Lab Organ & Microwave Assisted Chem LOMAC, Dept Chem, B-3001 Leuven, Belgium; [Van der Eycken, Erik V.] Peoples Friendship Univ Russia RUDN Univ, Moscow 117198, Russia in 2020, Cited 56. 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 pyridine-enabled C-N bond activation of peptidomimetics employing cooperative palladium/copper catalysis in water is developed. Diverse amides and 4-pyridylglyoxamides are simultaneously synthesized through two steps from commercially available materials in a rapid, environmentally friendly, and high atom-economical manner.

Welcome to talk about 99-04-7, If you have any questions, you can contact Song, L; Claessen, S; Van der Eycken, EV or send Email.. Recommanded Product: 99-04-7

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Isothiazole – Wikipedia,
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Quality Control of 3-Methylbenzoic acid. Authors Wang, L; Wang, YY; Tao, Y; Zhang, NN; Li, SB in ELSEVIER published article about in [Wang, Liang; Tao, Yu; Zhang, Nana; Li, Shubai] Changzhou Vocat Inst Engn, Sch Chem & Pharmaceut Engn, Changzhou 213164, Peoples R China; [Wang, Yaoyao] Changzhou Univ, Sch Petrochem Engn, Jiangsu Key Lab Adv Catalyt Mat & Technol, Changzhou 213164, Peoples R China in 2021, Cited 30. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Nickel-catalyzed reduction of (het)arenecarboxylic acids with hydrosilanes in the presence of dimethyl dicarbonate as the activator affords the corresponding aldehydes. The role of the activator is the conversion of the acids into their anhydrides undergoing C?O cleavage. The good yields were achieved in case of substrates bearing electron-donating and electron-neutral groups.

Welcome to talk about 99-04-7, If you have any questions, you can contact Wang, L; Wang, YY; Tao, Y; Zhang, NN; Li, SB or send Email.. Quality Control of 3-Methylbenzoic acid

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Hu, FP; Cui, XF; Lu, GQ; Huang, GS in [Hu, Fang-Peng; Cui, Xin-Feng; Lu, Guo-Qiang; Huang, Guo-Sheng] Lanzhou Univ, Dept Chem, State Key Lab Appl Organ Chem, Key Lab Nonferrous Met Chem & Resources Utilizat, Lanzhou 730000, Peoples R China published Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives in 2020.0, Cited 71.0. COA of Formula: C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

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.

Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.. COA of Formula: C8H8O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Wang, YT; Shi, TQ; Fu, J; Zhu, HL in [Wang, Yan-Ting; Fu, Jie] Fudan Univ, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China; [Wang, Yan-Ting; Shi, Tian-Qi; Zhu, Hai-Liang] Nanjing Univ, State Key Lab Pharmaceut Biotechnol, Nanjing 210093, Jiangsu, Peoples R China published Discovery of novel bacterial FabH inhibitors (Pyrazol-Benzimidazole amide derivatives): Design, synthesis, bioassay, molecular docking and crystal structure determination in 2019, Cited 33. Quality Control of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

The enzyme FabH catalyzes the initial step of fatty acid biosynthesis that is essential for bacterial survival. Therefore, FabH has been identified as an attractive target for the development of new antibacterial agents. We present here the discovery of a promising new series of Pyrazol-Benzimidazole amides with low toxicity and potent FabH inhibitory. Twenty-seven novel compounds have been synthesized, and all the compounds were characterized by H-1 NMR, C-13 NMR and MS. Afterwards they were evaluated for in vitro antibacterial activities against E. coli, P. aeruginosa, B. subtilis and S. aureus, along with E. coli FabH inhibition and cytotoxicity test. Some compounds proved to be of low toxicity and potent, especially compound 31 exhibited the most potential to be a new drug with MIC of 0.49-0.98 mu g/mL against the tested bacterial strains and IC50 of 1.22 mu M against E. coli FabH. Eight analogues 16, 28, 30, 31, 33, 34, 35 and 36 with low range MIC against wild type Xanthomonas Campestris exhibited no inhibition against FabH-deficient mutant strain, which firmly proved the class of compounds arrived at antibacterial activity via interacting with FabH. In silica ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) evaluation also pointed out that these compounds are potential for druggability. Further, effective overall docking scores of all the compounds have been recorded, and docking simulation of compound 31 into E. coli FabH binding pocket has been conducted, where solid binding interactions has been identified. (C) 2019 Elsevier Masson SAS. All rights reserved.

Quality Control of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, YT; Shi, TQ; Fu, J; Zhu, HL or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Authors Che, ZP; Yang, JM; Sun, D; Tian, Y; Liu, SM; Lin, XM; Jiang, J; Chen, GQ in WILEY-V C H VERLAG GMBH published article about MYTHIMNA-SEPARATA WALKER; BOTANICAL INSECTICIDES; CHLOROQUINE RESISTANCE; ALKALOIDS; INHIBITORS; MIGRATION; ANALOGS; CHINA in [Che, Zhiping; Yang, Jinming; Sun, Di; Tian, Yuee; Liu, Shengming; Lin, Xiaomin; Jiang, Jia; Chen, Genqiang] Henan Univ Sci & Technol, Coll Forestry, Dept Plant Protect, Lab Pesticidal Design & Synth, Luoyang 471023, Peoples R China in 2020, Cited 42. SDS of cas: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Endeavor to discover biorational natural products-based insecticides, two series (30) of novel (9S)-acyloxy derivatives of quinidine and dihydroquinidine were prepared and assessed for their insecticidal activity against Mythimna separata in vivo by the leaf-dipping method at 1 mg/mL. Among all the compounds, especially four derivatives exhibited the best insecticidal activity with final mortality rates of 71.4 %, 75.0 %, 71.4 %, and 75.0 %, respectively. Relatively speaking, 9-hydroxy group is well tolerated, and the results showed that after modification of the hydroxy group with an acyloxy group, the insecticidal activity was significantly increased; the configuration at C8/9 position is important for insecticidal activity, and the (9S)-configuration is optimal; modification of the out-ring double bond is acceptable, and hydrogenation of the double bond enhances insecticidal activity. These preliminary results will pave the way for further modification of quinidine in the development of potential new insecticides.

SDS of cas: 99-04-7. Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Isothiazole – Wikipedia,
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Formula: C8H8O2. In 2019 J ORG CHEM published article about C-H; IODINE; FUNCTIONALIZATION; LACTONIZATION; ALKYLATION; EFFICIENT; CARBON in [Chen, Rongxiang; Wang, Kai-Kai; Wang, Zhan-Yong; Miao, Changqing; Wang, Doudou] Xinxiang Univ, Coll Chem & Chem Engn, Xinxiang 453000, Henan, Peoples R China; [Zhang, An-an; Liu, Lantao] Shangqiu Normal Univ, Coll Chem & Chem Engn, Shangqiu 476000, Henan, Peoples R China in 2019, Cited 55. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

A novel tetrabutylammonium iodide (TBAI)-promoted three-component reaction of carboxylic acid with alkene and alcohol has been developed, which represents facile and straightforward access to polysubstituted gamma-lactone skeletons in moderate-to-good yields. This methodology is distinguished by the use of a commercial catalyst and readily available starting materials, wide substrate scope, and operational simplicity. Mechanistic studies suggested that this transformation went through a radical process.

Formula: C8H8O2. Welcome to talk about 99-04-7, If you have any questions, you can contact Chen, RX; Wang, KK; Wang, ZY; Miao, CQ; Wang, DD; Zhang, AA; Liu, LT or send Email.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Authors Liu, GY; Kuang, GH; Zhang, XX; Lu, NH; Fu, Y; Peng, YY; Zhou, YR in AMER CHEMICAL SOC published article about C-H/O-H; CARBOXYLIC-ACIDS; NATURAL-PRODUCTS; BOND; FLUORINE; SBF5 in [Liu, Guangyuan; Kuang, Guanghua; Zhang, Xingxing; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Zhou, Yirong] Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fuct Small Organ Mol, Minist Educ, 99 Ziyang Rd, Nanchang 330022, Jiangxi, Peoples R China; [Zhou, Yirong] Huazhong Univ Sci & Technol, Tongji Med Coll, Sch Pharm, Hubei Key Lab Nat Med Chem & Resource Evaluat, 13 Hangkong Rd, Wuhan 430030, Hubei, Peoples R China in 2019.0, Cited 38.0. Quality Control of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

An unprecedented Ir-catalyzed oxidative coupling of benzoic acids with trifluoromethylated alkynes was successfully developed to provide diverse trifluoromethylated isocoumarins in moderate to good yields. This new practical procedure was highlighted by mild reaction conditions, broad substrate scope, good regioselectivity, high efficiency, and easy operation.

Quality Control of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Liu, GY; Kuang, GH; Zhang, XX; Lu, NH; Fu, Y; Peng, YY; Zhou, YR or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com