Category: 72364-46-6

On June 23, 2005, Scott, Ian L.; Ralph, Jeffrey M.; Voss, Matthew E. published a patent.Synthetic Route of 72364-46-6 The title of the patent was Pharmaceutical compositions containing vinca alkaloid derivatives. And the patent contained the following:

The present invention relates to the preparation of derivatives of vinca alkaloids, I (R1 = alkyl, alkenyl, alkynyl, aryl, heterocycle, halogen, CN, CHO, ester, amide, sulfate, sulfonyl, amine, sulfide, borate, etc.; R2 = alkyl, or CHO, R3 = H, alkyl, oar c(O)R5, R4 = H, C(O)R5; R5, R6, R7 = independently alkyl, alkenyl, alkynyl, aryl, or heterocycle; R8 = H, halogen, alkyl, alkenyl, alkynyl, aryl, heterocycle, acyl, or thioalkyl; R9 = Ph, R10 = H or R9 and R10 together form a bridging double bond; R5, and R6 could form a ring or R6 and R7 could form a ring; X = ether, amine hydrazine, OH, etc.) for the treatment of various conditions. Thus, 12′-bromovincristine, cesium carbonate and Ph boronic acid were mixed in 1,4-dioxane and then treated with [1,1′-bis(diphenylphosphino)ferrocene]dichloropalladium(II) to give II, which displayed a GI50 of 50 and 30 nM in HeLa and MCF-7 cells resp. Pharmaceutical compositions containing these compounds as well as processes of preparation and treatment of various conditions are also disclosed. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Synthetic Route of 72364-46-6

The Article related to vinca alkaloid vinblastine vincristine derivative preparation, Alkaloids: Alkaloids Containing Three Or More Nitrogen Atoms and other aspects.Synthetic Route of 72364-46-6

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On March 28, 2008, Graves, Alan P.; Shivakumar, Devleena M.; Boyce, Sarah E.; Jacobson, Matthew P.; Case, David A.; Shoichet, Brian K. published an article.Electric Literature of 72364-46-6 The title of the article was Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing. And the article contained the following:

Mol. docking computationally screens thousands to millions of organic mols. against protein structures, looking for those with complementary fits. Many approximations are made, often resulting in low “hit rates.”. A strategy to overcome these approximations is to rescore top-ranked docked mols. using a better but slower method. One such is afforded by mol. mechanics-generalized Born surface area (MM-GBSA) techniques. These more phys. realistic methods have improved models for solvation and electrostatic interactions and conformational change compared to most docking programs. To investigate MM-GBSA rescoring, the authors reranked docking hit lists in three small buried sites: a hydrophobic cavity that binds apolar ligands, a slightly polar cavity that binds aryl and hydrogen-bonding ligands, and an anionic cavity that binds cationic ligands. These sites are simple; consequently, incorrect predictions can be attributed to particular errors in the method, and many likely ligands may actually be tested. In retrospective calculations, MM-GBSA techniques with binding-site minimization better distinguished the known ligands for each cavity from the known decoys compared to the docking calculation alone. This encouraged us to test rescoring prospectively on mols. that ranked poorly by docking but that ranked well when rescored by MM-GBSA. A total of 33 mols. highly ranked by MM-GBSA for the three cavities were tested exptl. Of these, 23 were observed to bind-these are docking false negatives rescued by rescoring. The 10 remaining mols. are true negatives by docking and false positives by MM-GBSA. X-ray crystal structures were determined for 21 of these 23 mols. In many cases, the geometry prediction by MM-GBSA improved the initial docking pose and more closely resembled the crystallog. result; yet in several cases, the rescored geometry failed to capture large conformational changes in the protein. Intriguingly, rescoring not only rescued docking false positives, but also introduced several new false positives into the top-ranking mols. The authors consider the origins of the successes and failures in MM-GBSA rescoring in these model cavity sites and the prospects for rescoring in biol. relevant targets. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Electric Literature of 72364-46-6

The Article related to protein ligand docking mol mechanics generalized born surface area, virtual screening rescoring ligand crystal structure protein conformation, Biochemical Methods: Other (Not Covered At Other Subsections) and other aspects.Electric Literature of 72364-46-6

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On May 1, 2013, Greco, M. N.; Connelly, M. A.; Leo, G. C.; Olson, M. W.; Powell, E.; Huang, Z.; Hawkins, M.; Smith, C.; Schalk-Hihi, C.; Darrow, A. L.; Xin, H.; Lang, W.; Damiano, B. P.; Hlasta, D. J. published an article.Name: (2-Fluorophenyl)methanethiol The title of the article was A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice. And the article contained the following:

By screening directed libraries of serine hydrolase inhibitors using the cell surface form of endothelial lipase (EL), the authors identified a series of carbamate-derived (EL) inhibitors. Compound (I) raised plasma HDL-C levels in the mouse, and a correlation was found between HDL-C and plasma compound levels. Spectroscopic and kinetic studies support a covalent mechanism of inhibition. The authors’ findings represent the first report of EL inhibition as an effective means for increasing HDL-C in an in vivo model. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Name: (2-Fluorophenyl)methanethiol

The Article related to thiocarbamate endothelial lipase hdl cholesterol preparation, Pharmacology: Effects Of Cardiovascular, Hematologic, and Renal Drugs and other aspects.Name: (2-Fluorophenyl)methanethiol

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Rozsar, Daniel; Formica, Michele; Yamazaki, Ken; Hamlin, Trevor A.; Dixon, Darren J. published an article in 2021, the title of the article was Bifunctional iminophosphorane catalyzed enantioselective sulfa-Michael addition to unactivated α,β-unsaturated amides.SDS of cas: 72364-46-6 And the article contains the following content:

The first metal-free catalytic intermol. enantioselective sulfa-Michael addition to unactivated α,β-unsaturated amides is described. Consistently high enantiomeric excesses, and yields were obtained over a wide range of alkyl thiol pronucleophiles and electrophiles under mild reaction conditions, enabled by a novel squaramide-based bifunctional iminophosphorane (BIMP) catalyst. Low catalyst loadings (2 mol%) were achieved on a decagram scale, demonstrating the scalability of the reaction. Computational anal. revealed the origin of the high enantiofacial selectivity, corresponding transition states, and provided substantial evidence for specific non-covalent activation of the carbonyl group of the α,β-unsaturated amide by the catalyst. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).SDS of cas: 72364-46-6

The Article related to bifunctional iminophosphorane catalyst enantioselective sulfa michael addition, sulfa michael addition unsaturated amide mol modeling, Aliphatic Compounds: Amides, Amidines, Imidic Esters, Hydrazides, and Hydrazonic Esters and other aspects.SDS of cas: 72364-46-6

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On May 12, 2011, Conn, P. Jeffrey; Lindsley, Craig W.; Hopkins, Corey R.; Weaver, Charles David; Niswender, Colleen M.; Cheung, Yiu-Yin published a patent.Formula: C7H7FS The title of the patent was Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction. And the patent contained the following:

The present invention relates to (hetero)aryl sulfone compounds which are useful as allosteric potentiators/pos. allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4), synthetic methods for making the compounds, pharmaceutical compositions comprising the compounds, and methods of using the compounds, for example, in treating neurol. and psychiatric disorders or other diseases associated with glutamate dysfunction. Preparation of 5-(2-chlorobenzylsulfonyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole was exemplified (yield 59%). The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Formula: C7H7FS

The Article related to aryl sulfone preparation mglur4 receptor potentiator neurol psychiatric disease, Pharmacology: Effects Of Nervous System- and Behavior-Affecting Drugs and Neuromuscular Agents and other aspects.Formula: C7H7FS

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On October 15, 1981, Jacobi, Haireddin; Opitz, Wolfgang published a patent.Synthetic Route of 72364-46-6 The title of the patent was S-Alkyl 3-(alkylthio)thiopropionates and their use in drugs. And the patent contained the following:

R1SCH2CH2C(O)SR [R, R1 = alkyl optionally substituted with amino, aryl, heteroaryl, etc., (in turn optionally substituted with 1-3 halo, alkyl, nitro, alkoxy, etc.), cycloalkyl] were prepared as inflammation inhibitors (no data). Thus 0.81 mL CH2:CHCOCl was added in portions to 4.28 g 3,4,5-(MeO)3C6H2CH2SH and 8 mL 5% NaOH at room temperature, and the mixture was stirred to the end of the exotherm to give 32.1% I. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Synthetic Route of 72364-46-6

The Article related to thio ester aralkyl antiinflammatory, propionate thio benzyl antiinflammatory, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Esters, Acyl Peroxides, Acyl Halides and other aspects.Synthetic Route of 72364-46-6

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On August 8, 2019, Bhujade, Paras Raybhan; Pawar, Rajesh; Naik, Maruti N.; Potlapally, Rajender Kumar; Tembhare, Nitin Ramesh; Autkar, Santosh Shridhar; Garg, Ruchi; Venkatesha, Hagalavadi M.; Klausener, Alexander G. M.; Ramakrishna, Visannagari; Adhav, Nilesh Bharat; Trivedi, Pooja published a patent.Category: alcohols-buliding-blocks The title of the patent was Novel oxadiazoles as pesticides and their preparation. And the patent contained the following:

The invention relates to oxadiazoles of formula I, as pesticides. Compounds of formula I wherein R1 is C1-2 haloalkyl; L1 is a bond, CO, O, S, SO, etc.; L2 is (CR7R8)0-4N:S(:O)R9, (CR7R8)0-4CON:S(:O)R9, CONR4SO2, etc.; A is (un)substituted (non)aromatic heterocyclyl; R4 is H, CN, OH, amino, etc.; R7 and R8 are independently H, halo, CN, C1-4 alkyl, etc.; R9 is H, amino, C1-6 alkyl, etc.; R10 is H, halo, OH, CN, NO2, etc.; and N-oxides, metal complexes, isomers, polymorphs and agriculturally acceptable salts thereof, are claimed. Example compound II was prepared by a multistep procedure (procedure given). The invention compounds were evaluated for their pesticidal activity (some data given). The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Category: alcohols-buliding-blocks

The Article related to oxadiazole preparation pesticide, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Category: alcohols-buliding-blocks

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On March 17, 2016, Viet, Andrew Quoc; Wurtz, Nicholas R. published a patent.Recommanded Product: 72364-46-6 The title of the patent was Thioether triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase. And the patent contained the following:

The invention provides compounds of formula I as myeloperoxidase (MPO) and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments. Compounds of formula I wherein ring A is substituted Ph and (un)substituted 5-to 6-membered heteroaryl; X is CH and N; Y is substituted hydrocarbon linker and substituted hydrocarbon-heteroatom linker; R1 is CN, OH, C1-4 (halo)alkyl, etc. ; and stereoisomers, tautomers, pharmaceutically acceptable salts, polymorphs and solvates thereof, are claimed. Example compound II was prepared by thiolation of 7-chloro-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine with 1-phenylethylthiol. The invention compounds were evaluated for their myeloperoxidase and/or eosinophil peroxidase inhibitory activity. From the assay, it was determined that compound II exhibited IC50 value ranged from 0.001 μM to 0.01 μM. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Recommanded Product: 72364-46-6

The Article related to preparation thioether triazolopyridine triazolopyrimidine inhibitor myeloperoxidase eosinophil peroxidase, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Recommanded Product: 72364-46-6

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On August 30, 2001, Bonnert, Roger; Gardiner, Stewart; Hunt, Fraser; Walters, Iain published a patent.Recommanded Product: 72364-46-6 The title of the patent was Preparation of pteridine compounds for the treatment of psoriasis. And the patent contained the following:

The title compounds [I; A = II, III; R1 = (un)substituted cycloalkyl, alkyl, alkenyl, etc.; R2 = H, (un)substituted cycloalkyl, alkyl, etc.; R3 = H, (un)substituted alkyl; NR2R3 = (un)substituted 3-8 membered ring optionally containing one or more atoms selected from O, S, NR8; R8, R18, R19 = H, alkyl, Ph; X = O, S, NR8; Y = CR18R19; Z = CR20; R20 = alkyl, Ph], useful in the treatment of chemokine mediated diseases such as psoriasis, were prepared E.g., a 5-step synthesis of (1R)-IV was given. The compounds I were tested and found to be antagonists of the CXCR2 receptor in human neutrophils. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Recommanded Product: 72364-46-6

The Article related to pteridine preparation psoriasis chemokine receptor cxcr2 antagonist, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Recommanded Product: 72364-46-6

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On June 10, 2015, Chen, Zhengwei; Xiao, Tao; Zhu, Jiahao; Yu, Chuanzong; Dai, Jianxin published a patent.Quality Control of (2-Fluorophenyl)methanethiol The title of the patent was Preparation method of 6-substituted-2-trifluoromethyl benzene sulfonyl chloride. And the patent contained the following:

The present invention refers to the preparation method of 6-substituted-2-trifluoromethyl benzene sulfonyl chloride I, wherein R is C1-6 alkyl, H or F/Cl substituted C1-6 alkyl. The method comprises the steps of: (1) performing fluorine displacement reaction of 2,3-dichloro-trifluoromethylbenzene with KF or NaF in the presence of phase transfer catalyst to obtain compound of 2,3-difluoro-trifluoromethylbenzene, wherein the phase transfer catalyst is one or more selected from tetra-Me ammonium chloride, tetra-Me ammonium bromide, tetra-Et ammonium chloride, tetra-Ph phosphine chloride, hexamethyl guanidine chloride, etc., (2) performing reaction of the 2,3-difluoro-trifluoromethylbenzene with C1-C6 mercaptan, benzyl mercaptan or alkali metal salt thereof, benzyl mercaptan substituted with F, Cl, Br, nitro, or C1-C3 alkoxy, or alkali metal salt thereof, in the presence of acid-binding agent, to obtain the key intermediate, wherein the acid-binding agent is one or more of triethylamine, pyridine, NaH, NaOH, KOH, potassium acetate, etc., and (3) oxidizing and chlorinating with Cl2 to obtained intermediate, or reacting with C1-C6 alc. unsubstituted or substituted with F or Cl, or alkali metal salt thereof in the presence of catalyst, and then oxidizing and chlorinating with Cl2 to obtain aim products, wherein the catalyst is one or more of triethylamine, pyridine, sodium carbonate, potassium acetate, etc. The method has the advantages of easily available raw materials, simple process, high yield, and low cost. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Quality Control of (2-Fluorophenyl)methanethiol

The Article related to preparation substituted trifluoromethyl benzene sulfonyl chloride, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Sulfenic, Sulfinic, and Sulfonic Acids and Derivatives and other aspects.Quality Control of (2-Fluorophenyl)methanethiol

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