1-[2-(1H-Indol-3-yl)-ethyl]-4-oxo-5-(2-oxo-tetradecyl)-2-phenyl-pyrrolidine-3-carboxylic acid methyl ester | 894086-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[2-(1H-Indol-3-yl)-ethyl]-4-oxo-5-(2-oxo-tetradecyl)-2-phenyl-pyrrolidine-3-carboxylic acid methyl ester
• CAS: 894086-33-0
• 化学式: C₃₆H₄₈N₂O₄
• 分子量: 572.788
• InChiKey: CCEQZCCHHVWCDE-UHFFFAOYSA-N

物化性质

• 沸点：
  706.5±60.0 °C(Predicted)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.76
• 重原子数：
  42.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  79.47
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-[2-(1H-Indol-3-yl)-ethyl]-4-oxo-5-(2-oxo-tetradecyl)-2-phenyl-pyrrolidine-3-carboxylic acid methyl ester 以 氘代氯仿 为溶剂， 生成 (3RS,4SR,5RS)-1-[2-(1H-indol-3-yl)ethyl]-2-(2-oxotetradec-E-ylidene)-3-hydroxy-5-phenylpyrrolidine-4-carboxylic acid methyl ester 、 (3SR,4SR,5RS)-1-[2-(1H-indol-3-yl)ethyl]-2-(2-oxotetradec-E-ylidene)-3-hydroxy-5-phenylpyrrolidine-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthetic analogues of the manzamenones and plakoridines which inhibit DNA polymerase

  摘要：

  An array of novel analogues of the marine oxylipins, the manzamenones and plakoridines, have been prepared in divergent fashion using an approach modelled on a biogenetic theory. Many of the target compounds show potent inhibition of DNA polymerases alpha and beta and human terminal deoxynucleotidyl transferase (TdT).

  DOI：

  10.1016/j.bmcl.2006.03.005
• 作为产物：
  描述：

  色胺 、 alkaline earth salt of/the/ methylsulfuric acid 以 氘代氯仿 、 水 为溶剂， 反应 3.0h， 生成 1-[2-(1H-Indol-3-yl)-ethyl]-4-oxo-5-(2-oxo-tetradecyl)-2-phenyl-pyrrolidine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthetic analogues of the manzamenones and plakoridines which inhibit DNA polymerase

  摘要：

  An array of novel analogues of the marine oxylipins, the manzamenones and plakoridines, have been prepared in divergent fashion using an approach modelled on a biogenetic theory. Many of the target compounds show potent inhibition of DNA polymerases alpha and beta and human terminal deoxynucleotidyl transferase (TdT).

  DOI：

  10.1016/j.bmcl.2006.03.005