Tag: M.W=100-150

Li, YT; Dai, ZJ; Cao, D; Luo, F; Chen, Y; Yuan, ZM in [Li, Yuting; Dai, Zhijun; Cao, Dan; Chen, Yuan; Yuan, Zheming] Hunan Agr Univ, Hunan Engn & Technol Res Ctr Agr Big Data Anal &, Changsha 410128, Peoples R China; [Luo, Feng] Clemson Univ, Sch Comp, Clemson, SC USA; [Yuan, Zheming] Hunan Agr Univ, Hunan Prov Key Lab Crop Germplasm Innovat & Utili, Changsha 410128, Hunan, Peoples R China published Chi-MIC-share: a new feature selection algorithm for quantitative structure-activity relationship models in 2020, Cited 39. Application In Synthesis of 1,3-Dimethoxybenzene. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

Quantitative structure-activity relationship models are used in toxicology to predict the effects of organic compounds on aquatic organisms. Common filter feature selection methods use correlation statistics to rank features, but this approach considers only the correlation between a single feature and the response variable and does not take into account feature redundancy. Although the minimal redundancy maximal relevance approach considers the redundancy among features, direct removal of the redundant features may result in loss of prediction accuracy, and cross-validation of training sets to select an optimal subset of features is time-consuming. In this paper, we describe the development of a feature selection method, Chi-MIC-share, which can terminate feature selection automatically and is based on an improved maximal information coefficient and a redundant allocation strategy. We validated Chi-MIC-share using three environmental toxicology datasets and a support vector regression model. The results show that Chi-MIC-share is more accurate than other feature selection methods. We also performed a significance test on the model and analyzed the single-factor effects of the reserved descriptors.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Li, YT; Dai, ZJ; Cao, D; Luo, F; Chen, Y; Yuan, ZM or concate me.. Application In Synthesis of 1,3-Dimethoxybenzene

Reference:
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Recently I am researching about CATALYZED DIRECTED SULFENYLATION; DIRECT THIOLATION; BOND FORMATION; ARYL SULFIDES; CHALCOGENATION; INDOLES; DISULFIDES; EFFICIENT; SULFUR; FUNCTIONALIZATION, Saw an article supported by the Sasagawa Scientific Research Grant from The Japan Science Society. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Nishino, K; Tsukahara, S; Ogiwara, Y; Sakai, N. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene. Safety of 1,3-Dimethoxybenzene

A novel palladium(II)/copper(II)-catalyzed sulfidation of the C-H bond in electron-rich arenes and in pentafluorobenzene with disulfides was developed. This catalytic system can be used to efficiently produce various types of either unsymmetrical aryl sulfides or alkyl aryl sulfides. The present protocol could also be applied to the direct preparation of unsymmetrical aryl selenides via C-H selenation.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Nishino, K; Tsukahara, S; Ogiwara, Y; Sakai, N or concate me.. Safety of 1,3-Dimethoxybenzene

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Recently I am researching about C-H ALKYLATION; ARENES; ARYLATION; EPOXIDES; LIGANDS; META, Saw an article supported by the Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21772139, 21572149]; Jiangsu Province Natural Science Found for Distinguished Young Scholars [BK20180041]; Project of Scientific and Technologic Infrastructure of Suzhou [SZS201708]; PAPD Project. HPLC of Formula: C8H8O2. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Zhou, KH; Zhu, Y; Fan, WT; Chen, YJ; Xu, X; Zhang, JY; Zhao, YS. 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.

HPLC of Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Zhou, KH; Zhu, Y; Fan, WT; Chen, YJ; Xu, X; Zhang, JY; Zhao, YS or concate me.

Reference:
Isothiazole – Wikipedia,
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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,
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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

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

Product Details of 99-04-7. In 2020 ANGEW CHEM INT EDIT published article about ASYMMETRIC-SYNTHESIS; CONJUGATE ADDITION; ALDOL ADDITIONS; COMPLEXES; LACTONES; REGIOSELECTIVITY; SUBSTITUTION; MECHANISM; BOND in [Jette, Carina, I; Stoltz, Brian M.] CALTECH, Warren & Katharine Schlinger Lab Chem & Chem Engn, Pasadena, CA 91125 USA; [Tong, Z. Jaron; Hadt, Ryan G.] CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91125 USA in 2020, Cited 45. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Herein, we report a Cu-catalyzed enantioselective allylic alkylation using a gamma-butyrolactone-derived silyl ketene acetal. Critical to the development of this work was the identification of a novel mono-picolinamide ligand with the appropriate steric and electronic properties to afford the desired products in high yield (up to 96 %) and high ee (up to 95 %). Aryl, aliphatic, and unsubstituted allylic chlorides bearing a broad range of functionality are well-tolerated. Spectroscopic studies reveal that a Cu-I species is likely the active catalyst, and DFT calculations suggest ligand sterics play an important role in determining Cu coordination and thus catalyst geometry.

Product Details of 99-04-7. About 3-Methylbenzoic acid, If you have any questions, you can contact Jette, CI; Tong, ZJ; Hadt, RG; Stoltz, BM or concate me.

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

Recommanded Product: 1,3-Dimethoxybenzene. Recently I am researching about SKELETALLY IMMATURE; SURGICAL-TREATMENT; CARPAL FRACTURES; CHILDREN; NONUNION; WRIST; HAND; ADOLESCENTS; INJURIES; FIXATION, Saw an article supported by the . Published in THIEME MEDICAL PUBL INC in NEW YORK ,Authors: Jorgsholm, P; Ossowski, D; Thomsen, N; Bjorkman, A. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

Zusammenfassung

Recommanded Product: 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Jorgsholm, P; Ossowski, D; Thomsen, N; Bjorkman, A or concate me.

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

Authors Li, ZZ; Xin, WX; Wang, Q; Zhu, MY; Zhou, HC in ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER published article about in [Li, Zezhong; Xin, Weixiang; Wang, Qing; Zhu, Mingyan; Zhou, Huchen] Shanghai Jiao Tong Univ, Sch Pharm, State Key Lab Microbial Metab, Shanghai 200240, Peoples R China in 2021, Cited 17. Product Details of 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The protozoan parasite Trypanosoma brucei (T. brucei) causes human African trypanosomiasis (HAT), which is a fatal and neglected disease in the tropic areas, and new treatments are urgently needed. Leucyl-tRNA synthetase (LeuRS) is an attractive target for the development of antimicrobial agents. In this work, starting from the hit compound thiourea ZCL539, we designed and synthesized a series of amides as effective T. brucei LeuRS (TbLeuRS) synthetic site inhibitors. The most potent compounds 74 and 91 showed IC50 of 0.24 and 0.25 mM, which were about 700-fold more potent than the starting hit compound. The structure-activity relationship was also discussed. These compounds provided a new scaffold and lead compounds for further development of antitrypanosomal agents. (C) 2021 Elsevier Masson SAS. All rights reserved.

Product Details of 99-04-7. About 3-Methylbenzoic acid, If you have any questions, you can contact Li, ZZ; Xin, WX; Wang, Q; Zhu, MY; Zhou, HC or concate me.

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

An article [(DPEPhos)(bcp)Cu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst WOS:000469977600132 published article about TRANSFER RADICAL-ADDITION; LIGHT; CYCLIZATION; HALIDES; ALKYLATION; REDUCTION; YNAMIDES; LUOTONIN in [Baguia, Hajar; Deldaele, Christopher; Michelet, Bastien; Beaudelot, Jerome; Theunissen, Cedric; Evano, Gwilherm] ULB, Serv Chim & PhysicoChim Organ, Lab Chim Organ, Brussels, Belgium; [Beaudelot, Jerome; Moucheron, Cecile] ULB, Serv Chim & PhysicoChim Organ, Lab Chim Organ & Photochim, Brussels, Belgium in 2019, Cited 37. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Quality Control of 1,3-Dimethoxybenzene

Our group recently reported the use of [(DPEPhos)(bcp)Cu]PF6 as a general copper-based photoredox catalyst which proved efficient to promote the activation of a broad variety of organic halides, including unactivated ones. These can then participate in various radical transformations such as reduction and cyclization reactions, as well as in the direct arylation of several (hetero)arenes. These transformations provide a straightforward access to a range of small molecules of interest in synthetic chemistry, as well as to biologically active natural products. Altogether, [(DPEPhos)(bcp)Cu]PF6 acts as a convenient photoredox catalyst which appears to be an attractive, cheap and complementary alternative to the state-of-the-art iridium- and ruthenium-based photoredox catalysts. Here, we report a detailed protocol for the synthesis of [(DPEPhos)(bcp)Cu]PF6, as well as NMR and spectroscopic characterizations, and we illustrate its use in synthetic chemistry for the direct arylation of (hetero)arenes and radical cyclization of organic halides. In particular, the direct arylation of N-methylpyrrole with 4-iodobenzonitrile to afford 4-(1-methyl-1H-pyrrol-2-yl)benzonitrile and the radical cyclization of N-benzoyl-N-[(2-iodoquinolin-3-yl)methyl]cyanamide to afford natural product luotonin A are detailed. The scope and limitations of this copper-based photoredox catalyst are also briefly discussed.

Quality Control of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Baguia, H; Deldaele, C; Michelet, B; Beaudelot, J; Theunissen, C; Moucheron, C; Evano, G or concate me.

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