(S)-5-(4-chlorobenzyl)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-4-isopropyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-5-(4-chlorobenzyl)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-4-isopropyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole-2-carboxamide
• 英文别名: (4S)-5-[(4-chlorophenyl)methyl]-N-[(5-ethylsulfonylpyridin-2-yl)methyl]-4-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carboxamide
• 化学式: C₂₄H₂₇ClN₄O₃S₂
• 分子量: 519.088
• InChiKey: BKVROOBZYCCQLT-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (4S)-N-[(5-ethylsulfonylpyridin-2-yl)methyl]-4-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole-2-carboxamide 、 4-氯苄溴 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 (S)-5-(4-chlorobenzyl)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-4-isopropyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole-2-carboxamide
  参考文献：
  名称：

  [EN] THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA
  [FR] INHIBITEURS DU ROR-GAMMA À BASE DE THIAZOLOPYRROLIDINE

  摘要：

  公开号：

  WO2014179564A8

文献信息

• THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS, INC.

  公开号：US20170008910A1

  公开（公告）日：2017-01-12

  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 ROR . 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.
• US9868748B2
  申请人：——

  公开号：US9868748B2

  公开（公告）日：2018-01-16
• [EN] THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA<br/>[FR] INHIBITEURS DU ROR-GAMMA À BASE DE THIAZALOPYRROLIDINE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2014179564A1

  公开（公告）日：2014-11-06

  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 RORɣ. 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.