Day: October 29, 2021

An article The Design of Potent, Selective and Drug-Like RGD alpha v beta 1 Small-Molecule Inhibitors Derived from non-RGD alpha 4 beta 1 Antagonists WOS:000474036600001 published article about ALPHA-5-BETA-1 INTEGRIN; PULMONARY-FIBROSIS; RECEPTOR; INTEGRIN-ALPHA-V-BETA-6; ALPHA(V)BETA(3); DERIVATIVES; BIPHENYLS; DISCOVERY; BILIARY in [Hatley, Richard J. D.; Barrett, Tim N.; Slack, Robert J.; Watson, Morag E.; Baillache, Daniel J.; Gruszka, Anna; Washio, Yoshiaki; Rowedder, James E.; Pogany, Peter; Pal, Sandeep; Macdonald, Simon J. F.] GlaxoSmithKline GSK, Med Res Ctr, Gunnels Wood Rd, Stevenage SG1 2NY, Herts, England in 2019, Cited 39. COA of Formula: C7H4F2O2. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2

Up to 45 % of deaths in developed nations can be attributed to chronic fibroproliferative diseases, highlighting the need for effective therapies. The RGD (Arg-Gly-Asp) integrin alpha v beta 1 was recently investigated for its role in fibrotic disease, and thus warrants therapeutic targeting. Herein we describe the identification of non-RGD hit small-molecule alpha v beta 1 inhibitors. We show that alpha v beta 1 activity is embedded in a range of published alpha 4 beta 1 (VLA-4) ligands; we also demonstrate how a non-RGD integrin inhibitor (of alpha 4 beta 1 in this case) was converted into a potent non-zwitterionic RGD integrin inhibitor (of alpha v beta 1 in this case). We designed urea ligands with excellent selectivity over alpha 4 beta 1 and the other alpha v integrins (alpha v beta 3, alpha v beta 5, alpha v beta 6, alpha v beta 8). In silico docking models and density functional theory (DFT) calculations aided the discovery of the lead urea series.

COA of Formula: C7H4F2O2. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Hatley, RJD; Barrett, TN; Slack, RJ; Watson, ME; Baillache, DJ; Gruszka, A; Washio, Y; Rowedder, JE; Pogany, P; Pal, S; Macdonald, SJF or concate me.

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

In 2020 J AM CHEM SOC published article about VISIBLE-LIGHT PHOTOREDOX; OXIDATIVE ADDITION; LIGAND DESIGN; ARYL HALIDES; COMPLEXES; REACTIVITY; ACTIVATION; PALLADIUM; PROTODEBORONATION; ARENES in [Daley, Ryan A.; Topczewski, Joseph J.] Univ Minnesota Twin Cities, Dept Chem, Minneapolis, MN 55455 USA; [Morrenzin, Aaron S.; Neufeldt, Sharon R.] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA in 2020, Cited 92. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. COA of Formula: C7H4F2O2

This report details a decarboxylative cross-coupling of (hetero)aryl carboxylates with iodoarenes in the presence of a gold catalyst (>25 examples, up to 96% yield). This reaction is site specific, which overcomes prior limitations associated with gold catalyzed oxidative coupling reactions. The reactivity of the (hetero)aryl carboxylate correlates qualitatively to the field effect parameter (F-ortho). Reactions with isolated gold complexes and DFT calculations support a mechanism proceeding through oxidative addition at a gold(I) cation with decarboxylation being viable at either a gold(I) or a silver(I) species.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Daley, RA; Morrenzin, AS; Neufeldt, SR; Topczewski, JJ or concate me.. COA of Formula: C7H4F2O2

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

In 2020 EUR J MED CHEM published article about LUNG-CANCER; METABOLISM; EXPRESSION; IDENTIFICATION; AZD7545 in [Xiang, Sichuan; Huang, Ding; He, Qiaolin; Li, Jie; Zhang, Shao-Lin; He, Yun] Chongqing Univ, Sch Pharmaceut Sci, Chongqing Key Lab Nat Prod Synth & Drug Res, Chongqing 401331, Peoples R China; [Tam, Kin Yip] Univ Macau, Fac Hlth Sci, Taipa, Macau, Peoples R China in 2020, Cited 26. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Application In Synthesis of 3-Methylbenzoic acid

Most cancer cells feature an altered glucose metabolism from oxidative phosphorylation to cytoplasmic glycolysis. Pyruvate dehydrogenase kinases (PDKs) and lactate dehydrogenase A (LDHA) play crucial roles in promotion of glycolysis, thus the inhibition of both enzymes is considered a promising strategy for developing of anticancer therapeutics. Herein, we describe the first discovery of series novel dual inhibitors targeting PDKs and LDHA. We identified 6 hits from a library database containing 485465 compounds through a high-throughput virtual screening assay. Hit-to-lead optimization enabled us to discover two compounds, namely 20e and 20k, which inhibited PDKs with IC50 values of 0.8, and 1.6 mu M, respectively, and inhibited LDHA with IC50 values of 0.15 and 0.7 mu M, respectively. Meanwhile, the two compounds reduced A549 cell proliferation with EC50 values of 13.2, and 15.7 mu M. Furthermore, 20e and 20k decreased the lactate formation, and increased oxygen consumption, suggesting the two compounds modulated the glucose metabolic pathways in cancer cells. (C) 2020 Elsevier Masson SAS. All rights reserved.

Application In Synthesis of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Xiang, SC; Huang, D; He, QL; Li, J; Tam, KY; Zhang, SL; He, Y or concate me.

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

An article The Enantioselective Synthesis of Chiral Carbocyclic Nucleosides via Palladium-Catalyzed Asymmetric Allylic Amination of Alicyclic MBH Adducts with Purines WOS:000523235000001 published article about METHYLENECYCLOPROPANE ANALOGS; STEREOSELECTIVE-SYNTHESIS; ANTIVIRAL ACTIVITY; POTENT; DERIVATIVES; INHIBITOR; 1592U89; LIGAND in [Kang, Bo; Zhang, Qi-Ying; Qu, Gui-Rong; Guo, Hai-Ming] Henan Normal Univ, Henan Key Lab Organ Funct Mol & Drug Innovat, Key Lab Green Chem Media & React,Sch Chem & Chem, Minist Educ,Collaborat Innovat Ctr Henan Prov Gre, Xinxiang 453007, Henan, Peoples R China in 2020, Cited 40. Application In Synthesis of Benzoic anhydride. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

The enantioselective synthesis of carbocyclic nucleosides through the palladium-catalyzed asymmetric allylic amination of alicyclic Morita-Baylis-Hillman (MBH) adducts with purines was successfully developed. With a combination of Pd-2 (dba)(3)/L7 as catalyst, various optically active carbocyclic nucleosides featuring a C=C double bond in the carbocycle moiety were obtained in high yields (up to 97%) with excellent N-9/N-7-selectivities (> 95/5) and enantioselectivities (up to > 99.6%). In addition, these nucleoside analogs allowed for rapid transformation to a variety of other interesting structurally diverse chiral carbocyclic nucleosides.

Application In Synthesis of Benzoic anhydride. About Benzoic anhydride, If you have any questions, you can contact Kang, B; Zhang, QY; Qu, GR; Guo, HM or concate me.

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

In 2019.0 J HETEROCYCLIC CHEM published article about MOLECULAR DOCKING; INHIBITORS; AGENTS; SPIRO in [Gouhar, Rasha S.] Natl Res Ctr, Therapeut Chem Dept, PO 12622, Giza, Egypt; [Haneen, David S. A.] Ain Shams Univ, Fac Sci, Chem Dept, PO 11566, Cairo, Egypt; [El-Hallouty, Salwa M.] Natl Res Ctr, Dept Pharmacognosy, Drug Bioassay Cell Culture Lab, PO 12622, Giza, Egypt in 2019.0, Cited 26.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Formula: C9H10O3

A new series of quinazolinone derivatives bearing pyridine, pyrimidine, pyrazole, or pyran moieties were synthesized for the purpose of anticancer cell line evaluation. Synthesis of these derivatives was achieved by the reaction of the ketone 2 with the appropriate aldehydes in the presence of either ethylcyanoacetate or malononitrile and ammonium acetate in one-pot reaction. Chalcones 6 reacted also with hydrazine hydrate to give the corresponding pyrazolines 7 and reacted with urea or thiourea to give the 2-oxopyrimidines or the 2-thioxopyrimidines 8, respectively. Evaluation of some representative examples of the newly synthesized compounds against cancer cell lines showed promising activity as anticancer agents.

Formula: C9H10O3. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Gouhar, RS; Haneen, DSA; El-Hallouty, SM or concate me.

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

Product Details of 151-10-0. Authors Hong, CM; Xu, YJ; Chung, JYL; Schultz, DM; Weisel, M; Varsolona, RJ; Zhong, YL; Purohit, AK; He, CQ; Gauthier, DR; Humphrey, GR; Maloney, KM; Levesque, F; Wang, ZX; Whittaker, AM; Sirota, E; McMullen, JP in AMER CHEMICAL SOC published article about in [Hong, Cynthia M.; Xu, Yingju; Chung, John Y. L.; Schultz, Danielle M.; Weisel, Mark; Varsolona, Richard J.; Zhong, Yong-Li; Purohit, Akasha K.; He, Cyndi Q.; Gauthier, Donald R., Jr.; Humphrey, Guy R.; Maloney, Kevin M.; Levesque, Francois; Wang, Zhixun; Whittaker, Aaron M.; Sirota, Eric; McMullen, Jonathan P.] Merck & Co Inc, Proc Res & Dev, Rahway, NJ 07065 USA in 2021, Cited 51. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

We report the practical synthesis of a key fragment of islatravir (MK-8591), a novel nucleoside reverse transcriptase translocation inhibitor (NRTTI) currently under investigation for treatment and pre-exposure prophylaxis (PrEP) against HIV infection. The fragment, the unnatural nucleobase 2-fluoroadenine, is incorporated into MK-8591 via a biocatalytic aldolglycosylation cascade, which imposes stringent requirements for its synthesis and isolation. Presented herein is the development work leading to a practical, scalable route from guanine, featuring a dual fluorination approach to a novel 9-THP-2,6-difluoropurine intermediate that enables a mild, highly selective, direct amination. This one-pot fluorination/amination sequence utilizes a direct isolation to deliver high purity 9-THP-2-fluoroadenine, which features ideal properties with respect to reactivity, solubility, and crystallinity. An acid-catalyzed liberation of 2-fluoroadenine in aqueous buffer delivers the appropriate purity profile to facilitate the enzymatic cascade to access MK-8591.

Product Details of 151-10-0. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Hong, CM; Xu, YJ; Chung, JYL; Schultz, DM; Weisel, M; Varsolona, RJ; Zhong, YL; Purohit, AK; He, CQ; Gauthier, DR; Humphrey, GR; Maloney, KM; Levesque, F; Wang, ZX; Whittaker, AM; Sirota, E; McMullen, JP or concate me.

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

Authors Verma, N; Tu, Z; Lu, MS; Liu, SH; Renata, S; Phang, RP; Liu, PK; Ghosh, B; Lin, CH in AMER CHEMICAL SOC published article about MANNAN-BINDING PROTEIN; ONE-POT SYNTHESIS; AGLYCON TRANSFER; ACID; LACTOSYLCERAMIDES; SACCHARIDES; LIGANDS; DONORS; CHAIN in [Verma, Nitish; Renata, Septila; Lin, Chun-Hung] Acad Sinica, Inst Biol Chem & Chem Biol & Mol Biophys, Taiwan Int Grad Program, Inst Biol Chem, Taipei 11529, Taiwan; [Verma, Nitish] Natl Tsing Hua Univ, Dept Chem, Hsinchu 300044, Taiwan; [Tu, Zhijay; Liu, Shih-Hao; Ghosh, Bhaswati] Acad Sinica, Inst Biol Chem, Taipei 11529, Taiwan; [Lu, Ming-Shiuan; Phang, Riping; Lin, Chun-Hung] Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan; [Renata, Septila] Natl Tsing Hua Univ, Coll Life Sci, Inst Bioinformat & Struct Biol, Hsinchu 300044, Taiwan; [Liu, Peng-Kai; Lin, Chun-Hung] Natl Taiwan Univ, Coll Life Sci, Inst Biochem Sci, Taipei 10617, Taiwan in 2021, Cited 34. Name: Benzoic anhydride. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

Synthesis of type I LacNAc (Gal beta 1 -> 3GlcNAc) oligosaccharides usually suffers from low yields. We herein report the efficient synthesis of type I LacNAc oligosaccharides by chemoselective glycosylation. With 16 relative reactivity values (RRVs) measured thiotoluenyl-linked disaccharide donors and acceptors, chemoselective glycosylations were investigated to obtain optimal conditions. In these reactions, the RRV difference between the donors and acceptors had to be more than 6311 to obtain type I LacNAc tetrasaccharides in 72-86% yields, with minimal occurrence of aglycon transfer. The threshold of RRV difference was further applied to plan the synthesis of longer glycans. Because it is challenging to measure the RRVs of tetrasaccharides, anomeric proton chemical shifts were utilized to predict the corresponding RRVs, which consequently explained the outcome of glycosylations for the synthesis of type I LacNAc hexasaccharides. The result supported the idea that elongation of glycan chains has to proceed from the reducing to the nonreducing end for a better yield.

Name: Benzoic anhydride. About Benzoic anhydride, If you have any questions, you can contact Verma, N; Tu, Z; Lu, MS; Liu, SH; Renata, S; Phang, RP; Liu, PK; Ghosh, B; Lin, CH or concate me.

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

Wang, XC; Liu, FP; Yan, ZJ; Qiang, Q; Huang, W; Rong, ZQ in [Wang, Xuchao; Liu, Feipeng; Yan, Zijuan; Qiang, Qing; Huang, Wei; Rong, Zi-Qiang] Northwestern Polytech Univ, Frontiers Sci Ctr Flexible Elect FSCFE, Shaanxi Inst Flexible Elect SIFE, Xian 710072, Peoples R China; [Wang, Xuchao; Liu, Feipeng; Yan, Zijuan; Qiang, Qing; Huang, Wei; Rong, Zi-Qiang] Northwestern Polytech Univ, Shaanxi Inst Biomed Mat & Engn SIBME, Xian 710072, Peoples R China published Redox-Neutral Nickel-Catalyzed Cross-Coupling Reactions of (Homo)allylic Alcohols and Aryltriflates in 2021, Cited 82. Product Details of 151-10-0. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

Herein, we report a redox-neutral Ni-catalyzed cross-coupling reaction of two readily available precursors to produce the corresponding ketones that are an important structural motif in numerous biologically active entities. By the use of a commercially available nickel/Triphos catalytic system, a range of easily accessible alkenyl primary alcohols and aryltriflates can be converted in a rapidly assembled fashion to valuable ketones with good yields and wide functional group tolerance. We also demonstrate the utility of this transformation by late-stage functionalization of a large set of complex molecules with good efficiency, which offers a distinct entry to more functionalized aromatic ketones.

Product Details of 151-10-0. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Wang, XC; Liu, FP; Yan, ZJ; Qiang, Q; Huang, W; Rong, ZQ or concate me.

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

Recently I am researching about BISCOUMARIN DERIVATIVES; MOLECULAR DOCKING; GLYCATION; COMPLEXES; ENZYME; ACID, Saw an article supported by the Higher Education Commission (HEC), Pakistan under National Research Program for Universities [20-1910]; Higher Education Commission, Pakistan, through Indigenous 5000 Scholarship Programme Batch-VII. Published in ACADEMIC PRESS INC ELSEVIER SCIENCE in SAN DIEGO ,Authors: Salar, U; Nizamani, A; Arshad, F; Khan, KM; Fakhri, MI; Perveen, S; Ahmed, N; Choudhary, MI. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde. Formula: C9H10O3

The current study is concerned with the identification of lead molecules based on the bis-coumarin scaffold having selective urease inhibitory and antiglycation activities. For that purpose, bis-coumarins (1-44) were synthesized and structurally characterized by different spectroscopic techniques. Eight derivatives 4, 8-10, 14, 17, 34, and 40 demonstrated urease inhibition in the range of IC50=4.4 +/- 0.21-115.6 +/- 2.13 mu M, as compared to standard thiourea (IC50=21.3 +/- 1.3 mu M). Especially, compound 17 (IC50=4.4 +/- 0.21 mu M) was found to be five-fold more potent than the standard. Kinetic studies were also performed on compound 17 in order to identify the mechanism of inhibition. Kinetic studies revealed that compound 17 is a competitive inhibitor. Antiglycation activity was evaluated using glycation of bovine serum albumin by methylglyoxal in vitro. Compounds 2, 11-13, 16, 17, 19-22, 35, 37, and 42 showed good to moderate antiglycation activities with IC50 values of 333.63-919.72 mu M, as compared to the standard rutin (IC50=294.46 +/- 1.5 mu M). Results of both assays showed that the compounds with urease inhibitory activity did not show any antiglycation potential, and vice versa. Only compound 17 showed dual inhibition potential. All compounds were also evaluated for cytotoxicity. Compounds 17, 19, and 37 showed a weak toxicity towards 3 T3 mouse fibroblast cell line. All other compounds were found to be non-cytotoxic. Urease inhibition is an approach to treat infections caused by ureolytic bacteria whereas inhibition of glycation of proteins is a strategy to avoid late diabetic complications. Therefore, these compounds may serve as leads for further research.

Formula: C9H10O3. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Salar, U; Nizamani, A; Arshad, F; Khan, KM; Fakhri, MI; Perveen, S; Ahmed, N; Choudhary, MI or concate me.

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

Recently I am researching about ONE-POT PROTECTION; STEREOSELECTIVE-SYNTHESIS; REGIOSELECTIVE ACETYLATION; ACETAL-GLYCOSIDES; ALPHA-GLUCOSIDES; HYDROXYL-GROUPS; GLYCOSYLATION; DERIVATIVES; ACYLATION; CATALYSIS, Saw an article supported by the Academia SinicaAcademia Sinica – Taiwan [MOST 108-3114-Y-001002, AS-SUMMIT-109]; Ministry of Science and Technology [MOST 108-2113-M-001-019-, MOST 109-2113M-001-005-]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Weldu, WD; Wang, CC. The CAS is 93-97-0. Through research, I have a further understanding and discovery of Benzoic anhydride. Recommanded Product: 93-97-0

Selective modification of the hydroxyl groups of sugars has been a long-standing challenge due to their proximate relative reactivity. Herein, we report a TMSOTf-catalyzed selective acetylation of the non-anomeric hydroxyl groups of several per-O-TMS-protected sugar substrates while leaving their anomeric group unaffected. In addition to standing versatile by itself, the anomeric O-TMS group left intact can be functionalized to afford key sugar precursors such as imidate donors, which could otherwise be synthesized via a stepwise anomeric deprotection-functionalization procedure.

Recommanded Product: 93-97-0. About Benzoic anhydride, If you have any questions, you can contact Weldu, WD; Wang, CC or concate me.

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