2'-o-tolyl-5-(4-methylpiperazinyl)-2,5'-bi-1H-benzimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2'-o-tolyl-5-(4-methylpiperazinyl)-2,5'-bi-1H-benzimidazole
• 英文别名: 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
• 化学式: C₂₆H₂₆N₆
• 分子量: 422.533
• InChiKey: OVIGZMABGCIOMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-二氨基苯甲腈 在 aluminum nickel 甲酸 作用下， 以 硝基苯 为溶剂， 反应 6.0h， 生成 2'-o-tolyl-5-(4-methylpiperazinyl)-2,5'-bi-1H-benzimidazole
  参考文献：
  名称：

  Substituted 2,5‘-Bi-1H-benzimidazoles:  Topoisomerase I Inhibition and Cytotoxicity

  摘要：

  Several 2'-aryl-5-substituted-2,5'-bi-1H-benzimidazole derivatives were synthesized and evaluated as topoisomerase I poisons and for their cytotoxicity toward the human lymphoblast cell line RPMI 8402. This study focused on 18 2,5'-bi-1H-benzimidazole derivatives which contained either a 5-cyano, a 5-(aminocarbonyl), or a 5-(4-methylpiperazinyl) group. Among these bibenximidazoles, the pharmacological activity of 2'-phenyl derivatives and the influence of the different positional isomers of either a 2'-tolyl group or a 2'-naphthyl moiety on cytotoxicity and topoisomerase I inhibitory activity were determined.

  DOI：

  10.1021/jm950412w

文献信息

• Substituted 2,5‘-Bi-1<i>H</i>-benzimidazoles:  Topoisomerase I Inhibition and Cytotoxicity
  作者：Jung Sun Kim、Barbara Gatto、Chiang Yu、Angela Liu、Leroy F. Liu、Edmond J. LaVoie

  DOI：10.1021/jm950412w

  日期：1996.1.1

  Several 2'-aryl-5-substituted-2,5'-bi-1H-benzimidazole derivatives were synthesized and evaluated as topoisomerase I poisons and for their cytotoxicity toward the human lymphoblast cell line RPMI 8402. This study focused on 18 2,5'-bi-1H-benzimidazole derivatives which contained either a 5-cyano, a 5-(aminocarbonyl), or a 5-(4-methylpiperazinyl) group. Among these bibenximidazoles, the pharmacological activity of 2'-phenyl derivatives and the influence of the different positional isomers of either a 2'-tolyl group or a 2'-naphthyl moiety on cytotoxicity and topoisomerase I inhibitory activity were determined.