BZP | 375387-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: BZP
• CAS: 375387-01-2
• 化学式: C₂₁H₁₉NO₇S
• 分子量: 429.45
• InChiKey: WYCAOTYVZQMWRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  104.18
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  BZP 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 (12-Ethoxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-yl) methanesulfonate;methanesulfonate
  参考文献：
  名称：

  Synthesis, biological activity and comparative analysis of DNA binding affinities and human DNA topoisomerase I inhibitory activities of novel 12-alkoxy-benzo[c]phenanthridinium salts

  摘要：

  New antitumor 12-alkoxy-benzo[c]phenanthridinium derivatives were obtained in high yields through multistep syntheses. Analysis of DNA binding and human DNA topoisomerase I inhibitory activities demonstrates that new compounds. combining 2, 6, and 12 substitutions, interact strongly with DNA and exhibit important topoisomerase I inhibition. The cytotoxicities against solid tumor cell lines are also determined and compared with those for fagaronine and ethoxidine. (C) 2001 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00520-0
• 作为产物：
  描述：

  Methanesulfonic acid 4-(6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-2-methoxy-phenyl ester 在 硫酸 、 锌 作用下， 以 1,4-二氧六环 为溶剂， 生成 BZP
  参考文献：
  名称：

  Synthesis, biological activity and comparative analysis of DNA binding affinities and human DNA topoisomerase I inhibitory activities of novel 12-alkoxy-benzo[c]phenanthridinium salts

  摘要：

  New antitumor 12-alkoxy-benzo[c]phenanthridinium derivatives were obtained in high yields through multistep syntheses. Analysis of DNA binding and human DNA topoisomerase I inhibitory activities demonstrates that new compounds. combining 2, 6, and 12 substitutions, interact strongly with DNA and exhibit important topoisomerase I inhibition. The cytotoxicities against solid tumor cell lines are also determined and compared with those for fagaronine and ethoxidine. (C) 2001 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00520-0