4-(Methylthio)cyclohexanecarbonitrile | 1807898-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(Methylthio)cyclohexanecarbonitrile
• 英文别名: methyl 2-(1-methylsulfonylpiperidin-4-yl)acetate
• CAS: 1807898-10-7
• 化学式: C₉H₁₇NO₄S
• 分子量: 235.3
• InChiKey: ARCYHRJLXKHXQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  333.7±34.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, LLC

  公开号：EP3939974A1

  公开（公告）日：2022-01-19

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  本文提供了式 I 的新型化合物： 其药学上可接受的盐及其药物组合物，可用于治疗由 RORγ 介导的疾病和失调。还提供了包含式 I 新型化合物的药物组合物及其用于治疗一种或多种炎症、代谢、自身免疫和其他疾病或紊乱的方法。
• Benzimidazole derivatives as modulators of ROR-gamma
  申请人：Vitae Pharmaceuticals, LLC

  公开号：US10829481B2

  公开（公告）日：2020-11-10

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  本发明提供了式 I 的新型化合物：其药学上可接受的盐及其药物组合物，它们可用于治疗由 RORy 介导的疾病和失调。还提供了包含式 I 新型化合物的药物组合物及其用于治疗一种或多种炎症、代谢、自身免疫和其他疾病或紊乱的方法。
• BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP3408268A1

  公开（公告）日：2018-12-05
• [EN] BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLES UTILISÉS COMME MODULATEURS DE ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2017132432A1

  公开（公告）日：2017-08-03

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.