7-[5-chloro-4-(1-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]-3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine | 1269769-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并二氮卓类
• 英文名称: 7-[5-chloro-4-(1-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]-3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
• 英文别名: 7-[5-Chloro-4-(1-methylbenzimidazol-2-yl)pyridin-2-yl]-3-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
• CAS: 1269769-22-3
• 化学式: C₂₂H₂₂ClN₇
• 分子量: 419.917
• InChiKey: XFLINLQHXWOWIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• BENZIMIDAZOLE DERIVATIVES
  申请人：Nair Sajiv Krishnan

  公开号：US20120157471A1

  公开（公告）日：2012-06-21

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1A , R 1B , R 1C , R 2 , R 3 , R 4 , R 5 , R A , R B , R C and X are as defined herein. These novel benzimidazole derivatives are useful in therapy, in particular for treating diseases or conditions mediated by SMO, including the treatment of abnormal cell growth, such as cancer, in mammals. This invention also relates to a method of using such compounds in the treatment of abnormal cell growth in mammals, especially humans, and to pharmaceutical compositions containing such compounds.

  本发明涉及一种式子(I)的化合物或其药学上可接受的盐，其中R1A、R1B、R1C、R2、R3、R4、R5、RA、RB、RC和X如本文所定义。这些新颖的苯并咪唑衍生物在治疗中有用，特别是用于治疗由SMO介导的疾病或病况，包括哺乳动物中的异常细胞生长，如癌症。本发明还涉及使用这些化合物治疗哺乳动物中的异常细胞生长，特别是人类，并涉及含有这些化合物的药物组成物的方法。
• [EN] BENZIMIDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE
  申请人：PFIZER

  公开号：WO2011027249A2

  公开（公告）日：2011-03-10

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1A, R1B, R1C, R2, R3, R4, R5, RA, RB, RC and X are as defined herein. These novel benzimidazole derivatives are useful in therapy, in particular for treating diseases or conditions mediated by SMO, including the treatment of abnormal cell growth, such as cancer, in mammals. This invention also relates to a method of using such compounds in the treatment of abnormal cell growth in mammals, especially humans, and to pharmaceutical compositions containing such compounds.