(19S)-19-ethyl-19-hydroxy-8-nitro-12-(2-oxopropyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: (19S)-19-ethyl-19-hydroxy-8-nitro-12-(2-oxopropyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
• 化学式: C₂₃H₁₉N₃O₇
• 分子量: 449.42
• InChiKey: WEVKJFULQRGEKE-IMMUGOHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  143
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  鲁比替康 在 吡啶 、 盐酸 、 硫酸 、 三氯化铁 作用下， 以 甲苯 为溶剂， 生成 (19S)-19-ethyl-19-hydroxy-8-nitro-12-(2-oxopropyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
  参考文献：
  名称：

  Novel C-ring analogues of 20(S)-camptothecin-part-2: Synthesis and cytotoxicity of 5-C-substituted 20(S)-camptothecin analogues

  摘要：

  A series of 5-C-substituted 20(S)-camptothecin analogues were synthesised and evaluated their in vitro anti-cancer activity. Several of these analogues have showed excellent activity against human tumor cell lines. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00268-1

文献信息

• Novel C-ring analogues of 20(S)-camptothecin-part-2: Synthesis and cytotoxicity of 5-C-substituted 20(S)-camptothecin analogues
  作者：Duvvuri Subrahmanyam、Akella Venkateswarlu、Kalla Venkateswara Rao、Tungathurty VRS Sastry、Garikipati Vandana、Sadhukhan A Kumar

  DOI：10.1016/s0960-894x(99)00268-1

  日期：1999.6

  A series of 5-C-substituted 20(S)-camptothecin analogues were synthesised and evaluated their in vitro anti-cancer activity. Several of these analogues have showed excellent activity against human tumor cell lines. (C) 1999 Elsevier Science Ltd. All rights reserved.