methyl (Z)-2-acetamido-3-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]prop-2-enoate | 185805-35-0

• 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: methyl (Z)-2-acetamido-3-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]prop-2-enoate
• CAS: 185805-35-0
• 化学式: C₂₆H₂₃N₃O₇
• 分子量: 489.485
• InChiKey: SHHXACDDXKAGJA-FMKXQDAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl (Z)-2-acetamido-3-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]prop-2-enoate 在 palladium on activated charcoal 氢气 作用下， 生成 methyl 2-acetamido-3-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]propanoate
  参考文献：
  名称：

  Synthesis and cytotoxic activity of alkylidene- and alkyl-substituted camptothecins

  摘要：

  A new family of camptothecin derivatives is described. Their synthesis, in vitro cytotoxicity, and topoisomerase I inhibition is reported. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00105-4
• 作为产物：
  描述：

  9-氨基喜树碱 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 、 氢溴酸 、 copper(I) bromide 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 methyl (Z)-2-acetamido-3-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]prop-2-enoate
  参考文献：
  名称：

  Synthesis and cytotoxic activity of alkylidene- and alkyl-substituted camptothecins

  摘要：

  A new family of camptothecin derivatives is described. Their synthesis, in vitro cytotoxicity, and topoisomerase I inhibition is reported. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00105-4

文献信息

• Synthesis and cytotoxic activity of alkylidene- and alkyl-substituted camptothecins
  作者：Ilaria Candiani、Angelo Bedeschi、Walter Cabri、Franco Zarini、Giuseppina Visentin、Laura Capolongo、Cristina Geroni、Marina Ciomei

  DOI：10.1016/s0960-894x(97)00105-4

  日期：1997.1

  A new family of camptothecin derivatives is described. Their synthesis, in vitro cytotoxicity, and topoisomerase I inhibition is reported. (C) 1997 Elsevier Science Ltd.