5-[3,4-bis(methyloxy)phenyl]-2-{[(2-chloro-4-fluorophenyl)methyl]thio}-1-(4-fluorophenyl)-1H-imidazole | 1239957-41-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[3,4-bis(methyloxy)phenyl]-2-{[(2-chloro-4-fluorophenyl)methyl]thio}-1-(4-fluorophenyl)-1H-imidazole
• 英文别名: 2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)imidazole
• CAS: 1239957-41-5
• 化学式: C₂₄H₁₉ClF₂N₂O₂S
• 分子量: 472.943
• InChiKey: TUNYHUCXSAVZIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY
  申请人：Bollu Venkataiah

  公开号：US20120040985A1

  公开（公告）日：2012-02-16

  The present invention comprises TGR5 agonists of structural formula I, wherein X, R 1 , R 2 , and R 5 are defined herein, as well as N-oxides of them and pharmaceutically acceptable salts thereof. The invention further comprises composition comprising the compounds, N-oxides, and/or pharmaceutically acceptable salts thereof. The invention also comprises use of the compounds and compositions for treating diseases in which TGR5 is a mediator or is implicated. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases in which TGR5 is a mediator or is implicated.

  本发明涉及结构式I的TGR5激动剂，其中X、R1、R2和R5如本文所定义，以及它们的N-氧化物和药学上可接受的盐。本发明还包括包含这些化合物、N-氧化物和/或药学上可接受的盐的组合物。本发明还包括使用这些化合物和组合物治疗TGR5是介质或被牵涉的疾病。本发明还包括使用这些化合物制造药物，特别是用于治疗TGR5是介质或被牵涉的疾病。
• US8785488B2
  申请人：——

  公开号：US8785488B2

  公开（公告）日：2014-07-22