(6aS)-3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxyamino]oxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

• 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: (6aS)-3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxyamino]oxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
• 化学式: C₂₆H₂₇N₅O₆
• 分子量: 505.5
• InChiKey: PYCIIOJKWXOINI-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• BENZYLIDINEANTHRACENONE LINKED PYRROLOBENZODIAZEPINE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF
  申请人：KAMAL Ahmed

  公开号：US20120142913A1

  公开（公告）日：2012-06-07

  The present invention provides a compound of formula 5, 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 formula 5a-t.

  本发明提供了一种化合物，其化学式为5，可作为潜在的抗人类癌细胞系肿瘤药剂。本发明还提供了一种制备化学式5a-t的吡咯并[2,1-c][1,4]苯二氮杂环烷的方法。
• [EN] QUINAZOLINE LINKED PYRROLO[2,1-C][1, 4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF'<br/>[FR] HYBRIDES DE PYRROLO[2,1-C][1,4]BENZODIAZÉPINE LIÉE À LA QUINAZOLINE EN TANT QU'AGENTS ANTICANCÉREUX POTENTIELS ET PROCÉDÉ POUR LA PRÉPARATION DE CEUX-CI
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2009109984A1

  公开（公告）日：2009-09-11

  The present invention provides a compound of general formula 5, 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 formula (5): wherein n = 3, 4, 5, 6, 8 and wherein R1 and R2 is selected from the group consisting of R1= H, R2=H or R1= CH3O, R2= CH3O or R1= CH3O and R2=C2H5O.

  本发明提供了一种一般式5的化合物，可作为潜在的抗人类癌细胞系的抗肿瘤剂。本发明进一步提供了一种制备一般式（5）的吡咯并[2,1-c][1,4]苯二氮杂环烃杂合物的方法：其中n = 3、4、5、6、8，R1和R2选自R1= H，R2=H或R1= CH3O，R2= 或R1= 和R2=C2H5O的基团。
• [EN] BENZOPHENONE-PIPERAZINE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] HYBRIDES DE PYRROLO[2,1-C][1,4]BENZODIAZÉPINE LIÉS À LA BENZOPHÉNONE-PIPÉRAZINE EN TANT QU'AGENTS ANTI-CANCÉREUX POTENTIELS ET PROCÉDÉ D'OBTENTION DES CES HYBRIDES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2009118749A1

  公开（公告）日：2009-10-01

  The present invention provides benzophenone-piperazine linked pyrrolo[2,1- c][1, 4]benzodiazepine hybrids of general formula 5a-e, 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 formula (5a-e).

  本发明提供了一种通用式5a-e的苯并酮-哌嗪连接的吡咯并[2,1- c][1, 4]苯二氮杂环己烷杂合物，可作为潜在的抗人类癌细胞系抗肿瘤药物。本发明还提供了一种制备通用式(5a-e)的吡咯并[2,1-c][1, 4]苯二氮杂环己烷杂合物的方法。
• Novel pyrrolo[2,1-C] [1,4] benzodiazepine compounds and processes for the preparation thereof
  申请人：Kamal Ahmed

  公开号：US20070082891A1

  公开（公告）日：2007-04-12

  The present invention provides novel pyrrolo [2,1-c][1,4]benzodiazepine compounds. This invention also provides a process for the preparation of novel pyrrolo[2,1-c][1,4]benzodiazepine compounds. These novel pyrrolo [2,1-c][1,4]benzodiazepine compounds are useful as antitumor agents. It also provides a process for the preparation of 7-methoxy-8-n-[4-(2-oxo-2H-4-chromenyl)piperazino]alkyl}-oxy-(11aS)-1,2,3,11a-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one and 7-methoxy-8-n-[4-(7-alkoxy-8-methyl-2-oxo-2H-4-chromenyl)piperazino]alkyl}-oxy-(11aS)-1,2,3,11a-5H-pyrrolo[2,1-c][1,4]. benzodiazepine-5-one with aliphatic chain length variations for these compounds.

  本发明提供了新型吡咯并[2,1-c][1,4]苯二氮䓬化合物。本发明还提供了一种制备新型吡咯并[2,1-c][1,4]苯二氮䓬化合物的方法。这些新型吡咯并[2,1-c][1,4]苯二氮䓬化合物可用作抗肿瘤剂。还提供了一种制备7-甲氧基-8-n-[4-(2-氧代-2H-4-香豆素基)哌嗪基]烷基}-氧基-(11aS)-1,2,3,11a-5H-吡咯并[2,1-c][1,4]苯二氮䓬-5-酮和7-甲氧基-8-n-[4-(7-烷氧基-8-甲基-2-氧代-2H-4-香豆素基)哌嗪基]烷基}-氧基-(11aS)-1,2,3,11a-5H-吡咯并[2,1-c][1,4]苯二氮䓬-5-酮的方法，其中这些化合物具有不同的脂肪链长度变化。
• PYRROLO[2, 1-C][1, 4]BENZODIAZEPINE-GLYCOSIDE PRODRUG USEFUL AS A SELECTIVE ANTI TUMOR AGENT
  申请人：Ahmed Kamal

  公开号：US20090036657A1

  公开（公告）日：2009-02-05

  The present invention provides novel pyrrolo[2,1-c][1,4]benzodiazepine-glycoside prodrug of general formula 1a-b, useful as selective anticancer agents. The present invention also provides a process for the preparation of novel pyrrolo[2,1-c][1,4]benzodiazepine-glycoside prodrugs of general formula 1a-b. This invention also provides activation of these produgs by E. coli β galactosidase and envisaged that these molecules are toxic to human cancer cell lines in the presence of the enzyme E. coli β-galactosidase. The prodrugs 1a and 1b were also found to be toxic to human cancer HepG2 cells even in the absence of the E. coli □-galactosidase. The toxic effect of the molecules when activated was similar to that of the parent molecules 6a and 6b, respectively.

  本发明提供了一种新型吡咯并[2,1-c][1,4]苯二氮杂环糖苷前药，其通用公式为1a-b，可作为选择性抗癌剂。本发明还提供了一种制备新型吡咯并[2,1-c][1,4]苯二氮杂环糖苷前药的方法，其通用公式为1a-b。本发明还提供了通过大肠杆菌β-半乳糖苷酶激活这些前药，并预期这些分子在大肠杆菌β-半乳糖苷酶存在的情况下对人类癌细胞系具有毒性。前药1a和1b甚至在没有大肠杆菌β-半乳糖苷酶的情况下也被发现对人类癌细胞HepG2具有毒性。当被激活时，这些分子的毒性效果类似于相应的母体分子6a和6b。