9'-fluorenylmethyl (1aS-(1aα,8β,8aα,8bα))-(8-{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b-hexahydro-4-hydroxy-8a-methoxy-5-methyl-7-oxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-6(7H)-ylidene)hydrazinecarboxylate | 117606-69-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9'-fluorenylmethyl (1aS-(1aα,8β,8aα,8bα))-(8-{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b-hexahydro-4-hydroxy-8a-methoxy-5-methyl-7-oxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-6(7H)-ylidene)hydrazinecarboxylate
• CAS: 117606-69-6
• 化学式: C₃₀H₂₉N₅O₇
• 分子量: 571.59
• InChiKey: CJEOUMOTCSXSBZ-WDOQLHMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  42.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  174.72
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  9-芴基甲基肼基甲酸酯 、 mitomycin A 以 甲醇 为溶剂， 以41%的产率得到9'-fluorenylmethyl (1aS-(1aα,8β,8aα,8bα))-(8-{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b-hexahydro-4-hydroxy-8a-methoxy-5-methyl-7-oxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-6(7H)-ylidene)hydrazinecarboxylate
  参考文献：
  名称：

  Mitomycin C analogs with a substituted hydrazine at position 7. Synthesis, spectral properties, and biological activity

  摘要：

  A select number of mitomycin C derivatives with a substituted hydrazine group at position 7 were synthesized and tested for antineoplastic activity by using an in vivo test with murine P388 leukemia. Several of the adducts displayed activity comparable to that of mitomycin C. The X-ray-determined crystal structure of one of the derivatives (3f) is reported.

  DOI：

  10.1021/jm00121a044