Day: October 9, 2021

I found the field of Chemistry very interesting. Saw the article Cooperativity within the catalyst: alkoxyamide as a catalyst for bromocyclization and bromination of (hetero)aromatics published in 2020. Category: isothiazole, Reprint Addresses Maji, MS (corresponding author), Indian Inst Technol Kharagpur, Dept Chem, Kharagpur 721302, W Bengal, India.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

Alkoxyamide has been reported as a catalyst for the activation ofN-bromosuccinimide to perform bromocyclization and bromination of a wide range of substrates in a lipophilic solvent, where adequate suppression of the background reactions was observed. The key feature of the active site is the alkoxy group attached to the sulfonamide moiety, which facilitates the acceptance as well as the delivery of bromonium species from the bromine source to the substrates.

Category: isothiazole. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Mondal, H; Sk, MR; Maji, MS or concate me.

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

I found the field of Chemistry; Physics very interesting. Saw the article Quantifications and Applications of Relative Fisher Information in Density Functional Theory published in 2021. Computed Properties of C8H10O2, Reprint Addresses Rong, CY (corresponding author), Hunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Changsha 410081, Hunan, Peoples R China.; Zhao, DB (corresponding author), Yunnan Univ, Inst Biomed Res, Kunming 650500, Yunnan, Peoples R China.; Liu, SB (corresponding author), Univ N Carolina, Res Comp Ctr, Chapel Hill, NC 27599 USA.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

Though density functional theory is widely accepted as one of the most successful developments in theoretical chemistry in the past few decades, the knowledge of how to apply this new electronic structure theory, to help us better understand chemical processes and transformations, is still an unaccomplished task. The information-theoretic approach is emerging as a viable option for that purpose in the recent literature, providing new insights about steric effect, cooperativity, electrophilicity, nucleophilicity, stereoselectivity, homochirality, etc. In this work, based on the result from a recent paper by one of us [J. Chem. Phys, 2019, 151, 141103], we present two quantifications of the relative Fisher information and discuss their physiochemical properties and possible applications. To that end, their analytical properties have been elucidated. They have also been applied to six categories of systems to illustrate their applicability. A better descriptor to quantify the single bond rotation barrier has been obtained. The relative Fisher information can also simultaneously determine electrophilicity and nucleophilicity, and effectively describe helical structures with different homochiral and heterochiral propensities. As integral parts of the information-theoretic approach, these newly introduced quantities will provide us with more analytical tools toward the long-term goal of crafting a chemical reactivity theory in the density-based language.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Wang, B; Zhao, DB; Lu, T; Liu, SB; Rong, CY or concate me.. Computed Properties of C8H10O2

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

In 2019.0 PHARM CHEM J+ published article about FATTY-ACID OXIDATION; ENERGY-METABOLISM; HEART-FAILURE; TRIMETAZIDINE; RANOLAZINE; ANGINA; INHIBITOR in [Mokrov, G., V; Likhosherstov, A. M.; Barchukov, V. V.; Stolyaruk, V. N.; Tsorin, I. B.; Vititnova, M. B.; Kryzhanovskii, S. A.; Gudasheva, T. A.; Seredenin, S. B.] VV Zakusov State Inst Pharmacol, 8 Baltiiskaya St, Moscow 125315, Russia in 2019.0, Cited 23.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Name: 2,5-Dimethoxybenzaldehyde

A new group of potential pFOX inhibitors among linear methoxyphenyltriazaalkanes were designed and synthesized. Cardiotropic activity in rodent experiments was found for most of the synthesized compounds. The most active compound N-1-(2,3,4-trimethoxybenzyl)-N-2-{2-[(2,3,4-trimethoxybenzyl)amino]ethyl}-1,2-ethanediamine trihydrochloride (LM-1) combined anti-ischemic, antiarrhythmic, and antifibrillatory activities (1 mg/kg, i.v.) and low toxicity (LD50 = 119 mg/kg, mice, i.p.) and was selected for development as a potential cardiotropic drug.

Name: 2,5-Dimethoxybenzaldehyde. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Mokrov, GV; Likhosherstov, AM; Barchukov, VV; Stolyaruk, VN; Tsorin, IB; Vititnova, MB; Kryzhanovskii, SA; Gudasheva, TA; Seredenin, SB or concate me.

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

An article Synthesis of benzotriazoles derivatives and their dual potential as alpha-amylase and alpha-glucosidase inhibitors in vitro: Structure-activity relationship, molecular docking, and kinetic studies WOS:000498308700017 published article about DRUG SYNTHESIS BIODS in [Hameed, Shehryar; Kanwal; Seraj, Faiza; Rafique, Rafaila; Khan, Khalid Mohammed] Univ Karachi, Int Ctr Chem & Biol Sci, HEJ Res Inst Chem, Karachi 75270, Pakistan; [Chigurupati, Sridevi] Qassim Univ, Coll Pharm, Dept Med Chem & Pharmacognosy, Buraydah 52571, Saudi Arabia; [Wadood, Abdul; Rehman, Ashfaq Ur] Abdul Wali Khan Univ, Dept Biochem, Computat Med Chem Lab, UCSS, Mardan, Pakistan; [Venugopal, Vijayan] AIMST Univ, Fac Pharm, Bedong 08100, Kedah, Malaysia; [Salar, Uzma] Univ Karachi, Int Ctr Chem & Biol Sci, Dr Panjwani Ctr Mol Med & Drug Res, Karachi 75270, Pakistan; [Taha, Muhammad; Khan, Khalid Mohammed] Imam Abdulrahman Bin Faisal Univ, IRMC, Dept Clin Pharm, POB 1982, Dammam 31441, Saudi Arabia in 2019, Cited 29. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Application In Synthesis of 2,6-Difluorobenzoic acid

Benzotriazoles (4-6) were synthesized which were further reacted with different substituted benzoic acids and phenacyl bromides to synthesize benzotriazole derivatives (7-40). The synthetic compounds (7-40) were characterized via different spectroscopic techniques including EI-MS, HREI-MS, H-1-, and C-13 NMR. These molecules were examined for their anti-hyperglycemic potential hence were evaluated for alpha-glucosidase and alpha-amylase inhibitory activities. All benzotriazoles displayed moderate to good inhibitory activity in the range of IC50 values of 2.00-5.6 and 2.04-5.72 mu M against alpha-glucosidase and alpha-amylase enzymes, respectively. The synthetic compounds were divided into two categories A and B, in order to understand the structure-activity relationship. Compounds 25 (IC50 = 2.41 +/- 131 mu M), (IC50 = 2.5 +/- 1.21 mu M), 36 (IC50= 2.12 +/- 1.35 M), (IC50 = 2.21 +/- 1.08 mu M), and 37 (IC50 = 2.00 +/- 1.22 mu M), (IC50 = 2.04 +/- 1.4 mu M) with chloro substitution/s at aryl ring were found to be most active against alpha-glucosidase and alpha-amylase enzymes. Molecular docking studies on all compounds were performed which revealed that chloro substitutions are playing a pivotal role in the binding interactions. The enzyme inhibition mode was also studied and the kinetic studies revealed that the synthetic molecules have shown competitive mode of inhibition against alpha-amylase and non-competitive mode of inhibition against alpha-glucosidase enzyme. (C) 2019 Elsevier Masson SAS. All rights reserved.

Application In Synthesis of 2,6-Difluorobenzoic acid. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Hameed, S; Kanwal; Seraj, F; Rafique, R; Chigurupati, S; Wadood, A; Rehman, AU; Venugopal, V; Salar, U; Taha, M; Khan, KM or concate me.

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

An article A mesoporous NNN-pincer-based metal-organic framework scaffold for the preparation of noble-metal-free catalysts WOS:000458417400025 published article about COORDINATION POLYMERS; HIGHLY EFFICIENT; MOF; CHEMISTRY; DESIGN; LIGAND; LAYERS; GAS in [Zhang, Yingmu; Li, Jialuo; Yang, Xinyu; Zhang, Peng; Pang, Jiandong; Zhou, Hong-Cai] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA; [Li, Bao] Huazhong Univ Sci & Technol, Key Lab Mat Chem Energy Convers & Storage, Sch Chem & Chem Engn, Wuhan 430074, Hubei, Peoples R China in 2019, Cited 42. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. HPLC of Formula: C8H10O2

Through topology-guided synthesis, a Zr-based mesoporous MOF was successfully constructed, adopting a b-cristobalite-type structure. The MOF is embedded with well-arranged terpyridine coordination sites for facile post-syntheticmetalation, and can be effectively used as a general scaffold for the preparation of noble-metal-free catalysts. For instance, the scaffolded metal@MOF material exhibits highly efficient catalytic activity for alkene epoxidation and arene borylation.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Zhang, YM; Li, JL; Yang, XY; Zhang, P; Pang, JD; Li, B; Zhou, HC or concate me.. HPLC of Formula: C8H10O2

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

COA of Formula: C8H8O2. Authors Grygorenko, OO; Radchenko, DS; Dziuba, I; Chuprina, A; Gubina, KE; Moroz, YS in CELL PRESS published article about in [Grygorenko, Oleksandr O.; Radchenko, Dmytro S.] Enamine Ltd, Chervonotkatska St 78, UA-02094 Kiev, Ukraine; [Grygorenko, Oleksandr O.; Radchenko, Dmytro S.; Gubina, Kateryna E.; Moroz, Yurii S.] Taras Shevchenko Natl Univ Kyiv, Volodymyrska St 60, UA-01601 Kiev, Ukraine; [Dziuba, Igor; Moroz, Yurii S.] Chemspace, Chervonotkatska St 78, UA-02094 Kiev, Ukraine; [Chuprina, Alexander] UkrOrgSyntez Ltd UORSY, Yevhena Konovaltsia St 29, UA-01133 Kiev, Ukraine in 2020, Cited 33. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

An approach to the generation of ultra-large chemical libraries of readily accessible (REAL”) compounds is described. The strategy is based on the use of two- or three-step three-component reaction sequences and available starting materials with pre-validated chemical reactivity. After the preliminary parallel experiments, the methods with at least similar to 80% synthesis success rate (such as acylation – deprotection – acylation of monoprotected diamines or amide formation – click reaction with functionalized azides) can be selected and used to generate the target chemical space. It is shown that by using only on the two aforementioned reaction sequences, a nearly 29-billion compound library is easily obtained. According to the predicted physico-chemical descriptor values, the generated chemical space contains large fractions of both drug-like and beyond ruleof-five members, whereas the strictest lead-likeness criteria (the so-called Churcher’s rules) are met by the lesser part, which still exceeds 22 million.

About 3-Methylbenzoic acid, If you have any questions, you can contact Grygorenko, OO; Radchenko, DS; Dziuba, I; Chuprina, A; Gubina, KE; Moroz, YS or concate me.. COA of Formula: C8H8O2

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

An article Development of Abraham model correlations for solute transfer into 2-ethyl-1-hexanol from both water and the gas phase based on measured solubility ratios WOS:000512653900005 published article about ORGANIC NONELECTROLYTE SOLVENTS; CARBOXYLIC-ACID SOLUTES; MATHEMATICAL CORRELATION; THERMOCHEMICAL BEHAVIOR; PARTITION-COEFFICIENTS; DESCRIPTORS; PREDICTION; CLASSIFICATION; ANTHRACENE; STILBENE in [Liu, Kelly; Wang, Shang; Hart, Erin; Klein, Alex; Stephens, Timothy W.; Bates, Bailey; Calzada, Jackie; Garcia, Michael; Abban-Manesah, Justice; Acree, William E., Jr.] Univ North Texas, Dept Chem, 1155 Union Circle Dr 305070, Denton, TX 76203 USA; [Abraham, Michael H.] UCL, Dept Chem, London, England in 2020, Cited 75. 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

Experimental solubilities have been determined by spectrophotometric methods for 1-chloro-4-bromobenzene, 1,4-dibromobenzene, 1,4-dichloro-2-nitrobenzene, benzoic acid, 4-nitrobenzoic acid, 3,5-dinitrobenzoic acid, 2-methoxybenzoic acid, 4-methoxybenzoic acid, 3-chlorobenzoic acid, 3,5-dinitro-2-methylbenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, 3,4-dichlorobenzoic acid, benzoin, 4-tert-butylbenzoic acid, 4-chlorobenzoic acid, 3,4-dimethoxybenzoic acid, 3,4,5-trimethoxybenzoic acid and o-acetoacetaniside dissolved in 2-ethyl-1-hexanol at 298.15 K. Our experimental measurements, combined with published solubility data retrieved from the published chemical and engineering literature, were used to derive Abraham model correlations for solute transfer into 2-ethyl-1-hexanol from both water and from the gas phase. The derived Abraham model correlations were found to back-calculate the measured experimental values to within +/- 0.12 log units (or less).

About 3-Methylbenzoic acid, If you have any questions, you can contact Liu, K; Wang, S; Hart, E; Klein, A; Stephens, TW; Bates, B; Calzada, J; Garcia, M; Abban-Manesah, J; Acree, WE; Abraham, MH or concate me.. SDS of cas: 99-04-7

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

An article Synthesis, Characterization, Molecular Docking, and Anticancer Evaluation of 4-Thiazolidinone Analogues WOS:000475943700009 published article about THIAZOLIDINONE DERIVATIVES; BIOLOGICAL EVALUATION; POTENTIAL ANTITUMOR; DRUG DISCOVERY; DESIGN; AGENTS; FLAVONOIDS; ASSAY in [Mushtaque, Md] Al Falah Univ, Sch Phys & Mol Sci, Dept Chem, Faridabad 121004, Haryana, India; [Avecilla, Fernando] Univ A Coruna, Fac Ciencias, Dept Quim, GrupoXenomar,CICA, Campus A Coruna, Coruna 15071 A, Spain; [Bin Hafeez, Zubair; Rizvi, Mohammad Moshahid A.] Jamia Millia Islamia, Dept Biosci, New Delhi 110025, India in 2019.0, Cited 41.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. HPLC of Formula: C9H10O3

Scaffolds containing one or more heteroatoms are ubiquitous in nature and are responsible for almost every biological processes in flora and fauna. The fact that heterocyclic cores have high propensity for biological targets, several nitrogen, oxygen, and sulfur-containing heterocyclic compounds have been reported in the last few decades. One such intriguing class is 4-thiazolidinone that exhibit diverse range of pharmacological activities. In the present study, we report synthesis, characterization, molecular docking, and anticancer evaluation of 10 new 4-thiazolidinone analogues (5-14). One of the compounds (11) was structurally characterized using single crystal X structure. Anticancer evaluation against hepatocellular carcinoma cell line (HepG2) revealed that compound (7) was the most potent (IC50=75 mu M) while other showed moderate to low activity (85-530 mu M). To underpin the druggability and possible modes of action, drug-likeness was determined and docking studies were carried out against beta-carbonic anhydrase receptor (PDB ID: 3IA). Attempts have also been made to establish a structure-activity relationship of the reported compounds.

About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Mushtaque, M; Avecilla, F; Bin Hafeez, Z; Rizvi, MMA or concate me.. HPLC of Formula: C9H10O3

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

An article Design, synthesis and biological evaluation of novel c-Met/HDAC dual inhibitors WOS:000595004500007 published article about HISTONE DEACETYLASE INHIBITORS; 4-PHENOXYQUINOLINE DERIVATIVES; MULTITARGET THERAPEUTICS; MULTIPLE LIGANDS; CANCER; MET; POLYPHARMACOLOGY; RECEPTOR; MOIETY in [Dong, Yuhong; Hu, Hao; Sun, Yuwei; Qin, Mingze; Gong, Ping; Hou, Yunlei; Zhao, Yanfang] Shenyang Pharmaceut Univ, Key Lab Struct Based Drug Design & Discovery, Minist Educ, 103 Wenhua Rd, Shenyang 110016, Peoples R China in 2020, Cited 29. Safety of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

In this work three novel series of c-Met/HDAC bifunctional inhibitors were designed and synthesized by merging pharmacophores of c-Met and HDAC inhibitors. The most potent compound 11j inhibited c-Met kinase and HDAC1 with IC50 values of 21.44 and 45.22 nM, respectively. In addition, 11j showed efficient antiproliferative activities against both MCF-7 and A549 cells with greater potency than the reference drug SAHA and Cabozantinib. This work may lay the foundation for developing novel dual c-Met/HDAC inhibitors as potential anticancer therapeutics.

About 3-Methylbenzoic acid, If you have any questions, you can contact Dong, YH; Hu, H; Sun, YW; Qin, MZ; Gong, P; Hou, YL; Zhao, YF or concate me.. Safety of 3-Methylbenzoic acid

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

Authors Wang, GC; Liu, WJ; Tang, J; Ma, X; Gong, ZP; Huang, Y; Li, YJ; Peng, ZY in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about BIOLOGICAL EVALUATION; MOLECULAR DOCKING; IN-VITRO; BINDING; AGENTS; MICROTUBULES; PHENSTATIN in [Wang, Guangcheng; Gong, Zipeng; Huang, Yong] Guizhou Med Univ, State Key Lab Funct & Applicat Med Plants, Guizhou Prov Key Lab Pharmaceut, Guiyang, Peoples R China; [Wang, Guangcheng] Jishou Univ, Coll Chem & Chem Engn, Jishou, Peoples R China; [Peng, Zhiyun] Shanghai Ocean Univ, Coll Food Sci & Technol, Shanghai, Peoples R China; [Liu, Wenjing; Ma, Xue; Li, Yongjun] Guizhou Med Univ, Minist Educ, Engn Res Ctr Dev & Applicat Ethn Med & TCM, Guiyang, Peoples R China; [Liu, Wenjing] Guizhou Med Univ, Sch Pharm, Guiyang, Peoples R China; [Tang, Juan] Guizhou Med Univ, Affiliated Hosp, Guiyang, Peoples R China in 2020, Cited 32. Safety of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A series of benzophenone derivatives bearing naphthalene moiety were designed, synthesized, characterized by H-1 NMR, C-13 NMR, and HRMS and evaluated for their antiproliferative activity against human breast cancer cell line (MCF-7). Most of the tested derivatives showed good to moderate cytotoxicity against MCF-7 cell line. Among them, compound 4u (IC50 = 1.47 +/- 0.14 mu M) was found to be the most active compound, which is more active than the standard drug cisplatin (IC50 = 15.24 +/- 1.27 mu M). In vitro tubulin polymerization in-hibition assay, EBI competition assay, cell cycle analysis, and cell apoptosis assay identified that compound 4u was a new tubulin polymerization inhibitor by targeting the colchicine binding site. Besides, molecular docking study showed that compound 4u has high binding affinities with the colchicine binding site of tubulin through hydrogen bond, cation-pi, and hydrophobic interaction.

About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, GC; Liu, WJ; Tang, J; Ma, X; Gong, ZP; Huang, Y; Li, YJ; Peng, ZY or concate me.. Safety of 3-Methylbenzoic acid

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