7-methoxy-8-{3-[3-(3-chloro-4-fluorophenyl)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinyl]oxypropyloxy}-(11aS)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one | 1227665-87-3

• 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: 7-methoxy-8-{3-[3-(3-chloro-4-fluorophenyl)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinyl]oxypropyloxy}-(11aS)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one
• 英文别名: (6aS)-3-[3-[3-(3-chloro-4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]oxypropoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
• CAS: 1227665-87-3
• 化学式: C₃₁H₂₈ClFN₄O₅
• 分子量: 591.039
• InChiKey: NXZHGGAQTMGSFE-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  93
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• QUINAZOLINONE LINKED PYRROLO[2,1 -C][1.4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FORTHE PREPARATION THEREOF
  申请人：Council Of Scientific & Industrial Research

  公开号：EP2350085B1

  公开（公告）日：2013-06-19
• QUINAZOLINONE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Ahmed Kamal

  公开号：US20120095214A1

  公开（公告）日：2012-04-19

  The present invention provides a compound of general formulae 5a-r, 9a-i to 13a-i and 17a-i to 22a-i, useful as potential antitumour agents against human cancer cell lines. The present invention further provides a process for the preparation of pyrrolo[2,1-c][1,4]benzodiazepine hybrids of general formulae 5a-r, 9a-i to 13a-i and 17a-i to 22a-i.
• US8691811B2
  申请人：——

  公开号：US8691811B2

  公开（公告）日：2014-04-08