2-mercapto-6-methylbenzonitrile | 858004-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 2-mercapto-6-methylbenzonitrile
• 英文别名: 2-methyl-6-sulfanylbenzonitrile；6-Mercpato-2-methyl-benzoesaeure-nitril
• CAS: 858004-66-7
• 化学式: C₈H₇NS
• 分子量: 149.216
• InChiKey: NQRQWFBCVBJKIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  24.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-mercapto-6-methylbenzonitrile 生成 6,6'-dimethyl-2,2'-disulfanediyl-di-benzonitrile
  参考文献：
  名称：

  US1762270

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氟-6-甲基苯腈 在 sodium sulfide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以51 %的产率得到2-mercapto-6-methylbenzonitrile
  参考文献：
  名称：

  COMPOUNDS FOR FGFRS INHIBITORS

  摘要：

  A compound having the following structure of Formula (I): (I) or a stereoisomer, salt, or tautomer thereof, wherein R1, R2, R5, A, B, X, and Y are as defined herein. Pharmaceutical composition comprising the compounds, and their use in methods of treating diseases are also described.

  公开号：

  WO2024151638A2

文献信息

• Benzisothiazoles useful for treating or preventing HCV infection
  申请人：Hong Hui

  公开号：US20060229294A1

  公开（公告）日：2006-10-12

  The present invention relates to benzisothiazoles and pharmaceutical compositions thereof that inhibit replication and/or proliferation of HCV virus. The present invention also relates to the use of the benzisothiazoles and pharmaceutical compositions comprising the compounds to treat or prevent HCV infections.

  本发明涉及苯并异噻唑及其制备的制药组合物，可抑制HCV病毒的复制和/或增殖。本发明还涉及使用苯并异噻唑和包含该化合物的制药组合物来治疗或预防HCV感染。
• Synthesis and Biological Evaluation of 2- and 3-Aminobenzo[<i>b</i>]thiophene Derivatives as Antimitotic Agents and Inhibitors of Tubulin Polymerization
  作者：Romeo Romagnoli、Pier Giovanni Baraldi、Maria Dora Carrion、Carlota Lopez Cara、Delia Preti、Francesca Fruttarolo、Maria Giovanna Pavani、Mojgan Aghazadeh Tabrizi、Manlio Tolomeo、Stefania Grimaudo、Antonella Di Cristina、Jan Balzarini、John A. Hadfield、Andrea Brancale、Ernest Hamel

  DOI：10.1021/jm070050f

  日期：2007.5.1

  Two new series of inhibitors of tubulin polymerization based on the 2-amino-3-(3,4,5-trimethoxybenzoyl)benzo[b]thiophene molecular skeleton and its 3-amino positional isomer were synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization, and cell cycle effects. Although many more 3-amino derivatives have been synthesized so far, the most promising compound in this series was 2-amino-6-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]thiophene, which inhibits cancer cell growth at subnanomolar concentrations and interacts strongly with tubulin by binding to the colchicine site.
• WO2006/91858
  申请人：——

  公开号：——

  公开（公告）日：——
• BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：EP1853573A1

  公开（公告）日：2007-11-14
• ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20190211033A1

  公开（公告）日：2019-07-11

  Compounds, methods of use, and processes for making inhibitors of complement Factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R12 or R13 on the A group is an aryl, heteroaryl or heterocycle (R32) are provided. The inhibitors of Factor D described herein reduce the excessive activation of complement.