4'-methoxy cinnamoyl duocarmycin SA | 152718-06-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4'-methoxy cinnamoyl duocarmycin SA
• CAS: 152718-06-4
• 化学式: C₂₃H₂₀N₂O₅
• 分子量: 404.422
• InChiKey: JRJASFVVQBYWRC-DLKOQBKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  88.7
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4'-methoxy cinnamoyl duocarmycin SA 在 氢溴酸 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 (S)-8-Bromomethyl-6-[(E)-3-(4-methoxy-phenyl)-acryloyl]-4-oxo-3,4,6,7,8,8a-hexahydro-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Studies on duocarmycin SA and its derivatives

  摘要：

  New duocarmycin SA derivatives have been synthesized and evaluated for in vitro anticellular activity against HeLa S-3 cells, and in vivo antitumor activity against murine sarcoma 180 in mice. The results suggested that the N,N-dialkylcarbamoyl derivatives bearing the p-methoxy cinnamoyl group, which was prepared from duocarmycin SA, showed good in vivo antitumor activities superior to native duocarmycin SA. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00276-3
• 作为产物：
  描述：

  倍癌霉素 SA 在 sodium methylate 、 sodium hydride 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 5.0h， 生成 4'-methoxy cinnamoyl duocarmycin SA
  参考文献：
  名称：

  Studies on duocarmycin SA and its derivatives

  摘要：

  New duocarmycin SA derivatives have been synthesized and evaluated for in vitro anticellular activity against HeLa S-3 cells, and in vivo antitumor activity against murine sarcoma 180 in mice. The results suggested that the N,N-dialkylcarbamoyl derivatives bearing the p-methoxy cinnamoyl group, which was prepared from duocarmycin SA, showed good in vivo antitumor activities superior to native duocarmycin SA. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00276-3