3-[6-(2,4-Dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-3-oxo-propanenitrile | 928381-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-[6-(2,4-Dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-3-oxo-propanenitrile
• 英文别名: 3-[6-(2,4-dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-3-oxopropanenitrile
• CAS: 928381-93-5
• 化学式: C₂₄H₂₁Cl₂N₃O₂
• 分子量: 454.356
• InChiKey: HCPQQEQVMAMLRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,3-dimethyl-2,3,4,5,10,11-hexahydro-11-[(2,4-dichloro)phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one 、 吉非替尼中间体3 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 60.0h， 以23%的产率得到3-[6-(2,4-Dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-3-oxo-propanenitrile
  参考文献：
  名称：

  WO2007/26024

  摘要：

  公开号：

文献信息

• BENZODIAZEPINES AS HCV INHIBITORS
  申请人：Bonfanti Jean-Francois

  公开号：US20090221559A1

  公开（公告）日：2009-09-03

  The present invention relates to the use of benzodiazepines as inhibitors of HCV replication as well as their use in pharmaceutical compositions aimed to treat or combat HCV infections. In addition, the present invention relates to benzodiazepine compounds per se and their use as medicines. The present invention also concerns processes for the preparation of such compounds, pharmaceutical compositions comprising them, and combinations of said compounds with other anti-HCV agents.
• WO2007/26024
  申请人：——

  公开号：——

  公开（公告）日：——