6-(5-Phenyl-1H,3'H-[2,5']bibenzoimidazolyl-2'-yl)-1,4-dihydro-quinoxaline-2,3-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-(5-Phenyl-1H,3'H-[2,5']bibenzoimidazolyl-2'-yl)-1,4-dihydro-quinoxaline-2,3-dione
• 英文别名: 6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1,4-dihydroquinoxaline-2,3-dione
• 化学式: C₂₈H₁₈N₆O₂
• 分子量: 470.49
• InChiKey: YZRGZZWACFOJOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  草酸 、 5-phenyl-2-[2'-(3,4-diaminophenyl)benzimidazol-5'yl]benzimidazole 在 盐酸 作用下， 以33%的产率得到6-(5-Phenyl-1H,3'H-[2,5']bibenzoimidazolyl-2'-yl)-1,4-dihydro-quinoxaline-2,3-dione
  参考文献：
  名称：

  Heterocyclic bibenzimidazole derivatives as topoisomerase I inhibitors

  摘要：

  A series of 2'-heterocyclic derivatives of 5-phenyl-2,5'-1H-bibenzimidazoles were evaluated for topoisomerase I poisoning activity and cytotoxicity. Topo I poisoning activity was associated with 2'-derivatives that possessed a hydrogen atom capable of hydrogen bond formation, suggesting that the interatomic distances between such hydrogen atoms and the heteroatoms on the adjacent benzimidazole influence activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00087-1

文献信息

• Heterocyclic bibenzimidazole derivatives as topoisomerase I inhibitors
  作者：Song Jin、Jung Sun Kim、Sai-Peng Sim、Angela Liu、Daniel S. Pilch、Leroy F. Liu、Edmond J. LaVoie

  DOI：10.1016/s0960-894x(00)00087-1

  日期：2000.4

  A series of 2'-heterocyclic derivatives of 5-phenyl-2,5'-1H-bibenzimidazoles were evaluated for topoisomerase I poisoning activity and cytotoxicity. Topo I poisoning activity was associated with 2'-derivatives that possessed a hydrogen atom capable of hydrogen bond formation, suggesting that the interatomic distances between such hydrogen atoms and the heteroatoms on the adjacent benzimidazole influence activity. (C) 2000 Elsevier Science Ltd. All rights reserved.