| 178977-39-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 178977-39-4
• 化学式: C₁₉H₂₈N₂O₆
• 分子量: 380.441
• InChiKey: RFNHSOOFXSJMJR-SWLSCSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  113.96
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 、 (苯并三唑-1-基氧基)二哌啶碳鎓六氟磷酸盐 、 N-羟基丁二酰亚胺 、 trichlorobenzoyl chloride 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 生成 (3S,6S,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-(3-phenylprop-2-ynoyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  参考文献：
  名称：

  Synthesis and in vitro cytotoxicity of cryptophycins and related analogs

  摘要：

  Several members of the Cryptophycin family were synthesised using a straightforward convergent approach, The proposed synthetic route was used to prepare novel analogs of Cryptophycins A and B in which the benzylic epoxide moiety was replaced by alternate electrophilic functions. The effect of these modifications on cytotoxic activity was determined on several tumor cell lines. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00182-5
• 作为产物：
  描述：

  (2S)-3-氨基-2-甲基丙酸 、 N-BOC-4-甲氧基-D-苯基丙氨酸 在 N-羟基丁二酰亚胺 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙二醇二甲醚 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and in vitro cytotoxicity of cryptophycins and related analogs

  摘要：

  Several members of the Cryptophycin family were synthesised using a straightforward convergent approach, The proposed synthetic route was used to prepare novel analogs of Cryptophycins A and B in which the benzylic epoxide moiety was replaced by alternate electrophilic functions. The effect of these modifications on cytotoxic activity was determined on several tumor cell lines. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00182-5