[(1R,13R,16S)-5-acetyloxy-19,22-dihydroxy-21-methoxy-6,20,24-trimethyl-15,17-dioxo-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-2,4,6,11,18(23),19,21-heptaen-13-yl]methyl (Z)-2-methylbut-2-enoate | 1013395-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: [(1R,13R,16S)-5-acetyloxy-19,22-dihydroxy-21-methoxy-6,20,24-trimethyl-15,17-dioxo-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-2,4,6,11,18(23),19,21-heptaen-13-yl]methyl (Z)-2-methylbut-2-enoate
• CAS: 1013395-27-1
• 化学式: C₃₂H₃₂N₂O₁₁
• 分子量: 620.613
• InChiKey: XSKPRXICRYXWDC-CNUABPJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  、 (2Z)-2-methyl-2-butenoic 2,4,6-trichlorobenzoic anhydride 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以1.9 mg的产率得到[(1R,13R,16S)-5-acetyloxy-19,22-dihydroxy-21-methoxy-6,20,24-trimethyl-15,17-dioxo-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-2,4,6,11,18(23),19,21-heptaen-13-yl]methyl (Z)-2-methylbut-2-enoate
  参考文献：
  名称：

  Synthesis and Cytotoxic Evaluation of Some Cribrostatin–Ecteinascidin Analogues

  摘要：

  Analogues of cribrostatin IV (1) and the potent antineoplastic agent ecteinascidin 743 1 (2) have been synthesized. The cytotoxic activity of these compounds (5, 14, 20) has been determined, and the cyanoamine-cribrostatin analogue (14) exhibits a 20-fold improvement with regard to the natural product 1.

  DOI：

  10.1021/np800022x

文献信息

• Synthesis and Cytotoxic Evaluation of Some Cribrostatin–Ecteinascidin Analogues
  作者：Benjamin J. D. Wright、Collin Chan、Samuel J. Danishefsky

  DOI：10.1021/np800022x

  日期：2008.3.1

  Analogues of cribrostatin IV (1) and the potent antineoplastic agent ecteinascidin 743 1 (2) have been synthesized. The cytotoxic activity of these compounds (5, 14, 20) has been determined, and the cyanoamine-cribrostatin analogue (14) exhibits a 20-fold improvement with regard to the natural product 1.