| 1471413-39-4

• 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: 1471413-39-4
• 化学式: C₂₁H₃₀N₂O₆
• 分子量: 406.479
• InChiKey: KIJQKKYEXWXREG-IRXDYDNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  105.17
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 、 caesium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.42h， 生成 (3S,8aS)-pyrrolo[1,2-a]pyrazine-4-oxooctahydro-3-acetic acid
  参考文献：
  名称：

  A comparative study of antimicrobial properties of cyclo(l-Pro- l-Asp) with its 2-ketopiperazine analog

  摘要：

  Cyclo(l-Pro- l-Asp) diketopiperazine was synthesized and its antimicrobial properties were compared against its 2-ketopiperazine analog. The results indicate the significance of the peptide bond in antimicrobial property of cyclo(l-Pro- l-Asp) against various pathogenic bacteria and fungi with potent inhibitory effect over the 2-ketopiperazine analog. Cyclo(l-Pro- l-Asp) exhibited a higher inhibitory activity against Penicillium expansum (MIC 8 mu g/mL) than the standard fungicide amphotericin B (MIC 64 mu g/mL). The most potent activity by cyclo(l-Pro- l-Asp) was exhibited against Trichophyton rubrum (MIC 2 mu g/mL).

  DOI：

  10.1007/s00044-013-0836-5
• 作为产物：
  描述：

  Boc-L-天冬氨酸 4-苄酯 、 L-脯氨醇 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以56%的产率得到
  参考文献：
  名称：

  A comparative study of antimicrobial properties of cyclo(l-Pro- l-Asp) with its 2-ketopiperazine analog

  摘要：

  Cyclo(l-Pro- l-Asp) diketopiperazine was synthesized and its antimicrobial properties were compared against its 2-ketopiperazine analog. The results indicate the significance of the peptide bond in antimicrobial property of cyclo(l-Pro- l-Asp) against various pathogenic bacteria and fungi with potent inhibitory effect over the 2-ketopiperazine analog. Cyclo(l-Pro- l-Asp) exhibited a higher inhibitory activity against Penicillium expansum (MIC 8 mu g/mL) than the standard fungicide amphotericin B (MIC 64 mu g/mL). The most potent activity by cyclo(l-Pro- l-Asp) was exhibited against Trichophyton rubrum (MIC 2 mu g/mL).

  DOI：

  10.1007/s00044-013-0836-5