isophthalic acid L-prolyl-2(S)-(acetoxyacetyl)pyrrolidine L-prolyl-pyrrolidine amide | 473797-91-0

• 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
• 英文名称: isophthalic acid L-prolyl-2(S)-(acetoxyacetyl)pyrrolidine L-prolyl-pyrrolidine amide
• CAS: 473797-91-0
• 化学式: C₃₀H₃₈N₄O₇
• 分子量: 566.654
• InChiKey: NBYXZLDWZMAWEQ-SDHOMARFSA-N

物化性质

• 沸点：
  826.7±65.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  41.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  124.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  isophthalic acid L-prolyl-2(S)-(acetoxyacetyl)pyrrolidine L-prolyl-pyrrolidine amide 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 2-Hydroxy-1-[(S)-1-((S)-1-{3-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidine-2-carbonyl)-pyrrolidin-2-yl]-ethanone
  参考文献：
  名称：

  Dicarboxylic Acid bis(l-Prolyl-pyrrolidine) Amides as Prolyl Oligopeptidase Inhibitors

  摘要：

  New dicarboxylic acid bis(L-prolyl-pyrrolidine) amides were synthesized, and their inhibitory activity against prolyl oligopeptidase from pig brain was tested in vitro. As compared with earlier described prolyl oligopeptidase inhibitors, these new compounds have in common an L-prolyl-pyrrolidine moiety, but the typical lipophilic acyl end group is replaced by another L-prolyl-pyrrolidine moiety connected symmetrically with a short dicarboxylic acid linker. These compounds are a new type of peptidomimetic prolyl oligopeptidase inhibitor.

  DOI：

  10.1021/jm020966g
• 作为产物：
  描述：

  在 lithium hydroxide 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 21.0h， 生成 isophthalic acid L-prolyl-2(S)-(acetoxyacetyl)pyrrolidine L-prolyl-pyrrolidine amide
  参考文献：
  名称：

  Dicarboxylic Acid bis(l-Prolyl-pyrrolidine) Amides as Prolyl Oligopeptidase Inhibitors

  摘要：

  New dicarboxylic acid bis(L-prolyl-pyrrolidine) amides were synthesized, and their inhibitory activity against prolyl oligopeptidase from pig brain was tested in vitro. As compared with earlier described prolyl oligopeptidase inhibitors, these new compounds have in common an L-prolyl-pyrrolidine moiety, but the typical lipophilic acyl end group is replaced by another L-prolyl-pyrrolidine moiety connected symmetrically with a short dicarboxylic acid linker. These compounds are a new type of peptidomimetic prolyl oligopeptidase inhibitor.

  DOI：

  10.1021/jm020966g