10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-8-carboxylic acid methyl ester | 928386-62-3

• 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: 10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-8-carboxylic acid methyl ester
• 英文别名: Methyl 5-acetyl-6-(2,4-dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-3-carboxylate
• CAS: 928386-62-3
• 化学式: C₂₅H₂₄Cl₂N₂O₄
• 分子量: 487.383
• InChiKey: WDOPVCFQRDIQMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 6-(2,4-dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate 、 methyl 6-(2,4-dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-3-carboxylate 、 乙酸酐 以 吡啶 为溶剂， 反应 12.0h， 生成 10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-7-carboxylic acid methyl ester 、 10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-8-carboxylic acid methyl ester
  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.
• [EN] BENZODIAZEPINES AS HCV INHIBITORS<br/>[FR] BENZODIAZEPINES EN TANT QU'INHIBITEURS DU VHC
  申请人：TIBOTEC PHARM LTD

  公开号：WO2007026024A2

  公开（公告）日：2007-03-08

  [EN] 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 Io 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.
  [FR] La présente invention concerne l'utilisation de benzodiazépines en tant qu'inhibiteurs de la réplication du VHC, ainsi que leur utilisation dans des compositions pharmaceutiques destinées à traiter ou combattre des infections au VHC. En outre, cette invention a pour objet des composés de benzodiazépines Io et, en soi, leur utilisation en tant que médicaments. Ladite invention a, aussi, pour objet des processus de préparation de tels composés, de compositions pharmaceutiques les renfermant et de mélanges desdits composés avec d'autres agents anti-VHC.