5-Phenyl-2'-quinoxalin-6-yl-1H,3'H-[2,5']bibenzoimidazolyl

• 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: 5-Phenyl-2'-quinoxalin-6-yl-1H,3'H-[2,5']bibenzoimidazolyl
• 英文别名: 6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]quinoxaline
• 化学式: C₂₈H₁₈N₆
• 分子量: 438.491
• InChiKey: RXNUOPLBOXDDIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 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：
  83.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  glyoxal bis(sodium hydrogen sulfite) 、 5-phenyl-2-[2'-(3,4-diaminophenyl)benzimidazol-5'yl]benzimidazole 以 水 为溶剂， 反应 0.25h， 以67%的产率得到5-Phenyl-2'-quinoxalin-6-yl-1H,3'H-[2,5']bibenzoimidazolyl
  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 topoisomerase poisons
  申请人：LaVoie J. Edmond

  公开号：US20080004280A1

  公开（公告）日：2008-01-03

  The invention provides compounds of formula I: wherein R 1 to R 5 have any of the values defined in the specification, as well as pharmaceutically acceptable salts of the compounds, pharmaceutical compositions comprising the compounds, and methods of using the compounds, compositions, or salts to treat cancer. In embodiments, R 4 and R 5 taken together can be a 3, 4, or 5 membered saturated or unsaturated chain comprising members selected from the group consisting of non-peroxide oxygen, sulfur, N(X), and carbon, optionally substituted by oxo; wherein each X is independently absent or is H, O, (C 1 -C 4 )alkyl, phenyl or benzyl; and wherein at least one of the chain members is an N—H group.
• 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.