1-(7-Hydroxy-15,16-dimethoxy-12,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1,5(10),6,8,11,13,15,17(21)-octaen-18-yl)-2-(4-methylpiperazin-1-yl)ethanone | 597564-28-8

• 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: 1-(7-Hydroxy-15,16-dimethoxy-12,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1,5(10),6,8,11,13,15,17(21)-octaen-18-yl)-2-(4-methylpiperazin-1-yl)ethanone
• 英文别名: 1-(7-hydroxy-15,16-dimethoxy-12,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1,5(10),6,8,11,13,15,17(21)-octaen-18-yl)-2-(4-methylpiperazin-1-yl)ethanone
• CAS: 597564-28-8
• 化学式: C₂₈H₃₂N₄O₄
• 分子量: 488.586
• InChiKey: KVEAFTPZIGIVTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(7-Hydroxy-15,16-dimethoxy-12,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1,5(10),6,8,11,13,15,17(21)-octaen-18-yl)-2-(4-methylpiperazin-1-yl)ethanone 在 盐酸 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-[7-(3-Aminopropoxy)-15,16-dimethoxy-12,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1,5(10),6,8,11,13,15,17(21)-octaen-18-yl]-2-(4-methylpiperazin-1-yl)ethanone
  参考文献：
  名称：

  Highly cytotoxic benzo[c]pyrido[2,3,4-kl]acridines

  摘要：

  Several benzo[c]pyrido[2,3,4-kl]acridines bearing different substituents on the A and E rings were synthesized and evaluated for their capacity to bind to DNA and to inhibit DNA topoisomerases. Potent cytotoxic compounds were discovered but no strict correlation with their DNA binding affinity and effects on topoisomerases were observed. DNA is one but not the unique target of these compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01066-1
• 作为产物：
  描述：

  6-羟基-1-四氢萘酮 、 5-amino-1-[2-(4-methylpiperazin-1-yl)acetyl]-7,8-dimethoxy-2,3-dihydro-1H-quinolin-4-one 在 4-甲基苯磺酸吡啶 作用下， 以 正丁醇 为溶剂， 生成 1-(7-Hydroxy-15,16-dimethoxy-12,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1,5(10),6,8,11,13,15,17(21)-octaen-18-yl)-2-(4-methylpiperazin-1-yl)ethanone
  参考文献：
  名称：

  Highly cytotoxic benzo[c]pyrido[2,3,4-kl]acridines

  摘要：

  Several benzo[c]pyrido[2,3,4-kl]acridines bearing different substituents on the A and E rings were synthesized and evaluated for their capacity to bind to DNA and to inhibit DNA topoisomerases. Potent cytotoxic compounds were discovered but no strict correlation with their DNA binding affinity and effects on topoisomerases were observed. DNA is one but not the unique target of these compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01066-1

文献信息

• Highly cytotoxic benzo[c]pyrido[2,3,4-kl]acridines
  作者：Sarah Chackal、Michael Facompré、Raymond Houssin、Jean-François Goossens、Nicole Pommery、Jean-Pierre Hénichart、Christian Bailly

  DOI：10.1016/s0960-894x(02)01066-1

  日期：2003.3

  Several benzo[c]pyrido[2,3,4-kl]acridines bearing different substituents on the A and E rings were synthesized and evaluated for their capacity to bind to DNA and to inhibit DNA topoisomerases. Potent cytotoxic compounds were discovered but no strict correlation with their DNA binding affinity and effects on topoisomerases were observed. DNA is one but not the unique target of these compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.