(6aS)-3-[3-[2-(furan-2-yl)benzimidazol-1-yl]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione | 1031224-43-7

• 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-[3-[2-(furan-2-yl)benzimidazol-1-yl]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
• CAS: 1031224-43-7
• 化学式: C₂₇H₂₆N₄O₅
• 分子量: 486.527
• InChiKey: GHWYQUOUVKBKFV-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  98.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  麦穗宁 、 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以70%的产率得到(6aS)-3-[3-[2-(furan-2-yl)benzimidazol-1-yl]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
  参考文献：
  名称：

  Synthesis of new benzimidazole linked pyrrolo[2,1-c][1,4]benzodiazepine conjugates with efficient DNA-binding affinity and potent cytotoxicity

  摘要：

  The synthesis of new benzimidazole linked pyrrolobenzodiazepine conjugates is described. Some of these conjugates show significant DNA-binding affinity and, a representative compound 4c shows promising in vitro cytotoxicity against a number of human cancer cell lines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.039

文献信息

• Synthesis of new benzimidazole linked pyrrolo[2,1-c][1,4]benzodiazepine conjugates with efficient DNA-binding affinity and potent cytotoxicity
  作者：Ahmed Kamal、P. Praveen Kumar、K. Sreekanth、B.N. Seshadri、P. Ramulu

  DOI：10.1016/j.bmcl.2008.03.039

  日期：2008.4

  The synthesis of new benzimidazole linked pyrrolobenzodiazepine conjugates is described. Some of these conjugates show significant DNA-binding affinity and, a representative compound 4c shows promising in vitro cytotoxicity against a number of human cancer cell lines. (c) 2008 Elsevier Ltd. All rights reserved.