[N'-(2-Propyl-pentanoyl)-hydrazino]-acetic acid ethyl ester | 188262-74-0

• 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: [N'-(2-Propyl-pentanoyl)-hydrazino]-acetic acid ethyl ester
• 英文别名: ethyl 2-[2-(2-propylpentanoyl)hydrazinyl]acetate
• CAS: 188262-74-0
• 化学式: C₁₂H₂₄N₂O₃
• 分子量: 244.334
• InChiKey: PPSKYPCMGPKNAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  17.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [N'-(2-Propyl-pentanoyl)-hydrazino]-acetic acid ethyl ester 在 palladium on activated charcoal N-甲基吗啉 、 氢气 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 溶剂黄146 作用下， 以 乙醚 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、206.84 kPa 条件下， 生成 [N-{2-[(S)-4-Guanidino-1-((S)-hydroxy-phenethylcarbamoyl-methyl)-butylcarbamoyl]-cyclohexanecarbonyl}-N'-(2-propyl-pentanoyl)-hydrazino]-acetic acid ethyl ester
  参考文献：
  名称：

  Synthesis and biological activity of P2–P4 azapeptidomimetic P1-argininal and P1-ketoargininamide derivatives: a novel class of serine protease inhibitors

  摘要：

  Molecular modeling and topographic considerations of the thrombin-specific sequences Boc-Asp-Pro-Arg-TS or Ac-d-Phe-Pro-Arg-TS (TS = transition state analog electrophilic center) and related scaffolds led to the design of novel P-2-P-4-azapeptidomimetic P-1-argininal and P-1-ketoargininamide derivatives (3a-j). The synthesis and biological activity of these potential serine protease inhibitors are presented. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00005-x
• 作为产物：
  描述：

  2-丙基-戊酰肼 在 palladium on activated charcoal 氢气 、 magnesium sulfate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 25.0 ℃ 、206.84 kPa 条件下， 生成 [N'-(2-Propyl-pentanoyl)-hydrazino]-acetic acid ethyl ester
  参考文献：
  名称：

  Synthesis and biological activity of P2–P4 azapeptidomimetic P1-argininal and P1-ketoargininamide derivatives: a novel class of serine protease inhibitors

  摘要：

  Molecular modeling and topographic considerations of the thrombin-specific sequences Boc-Asp-Pro-Arg-TS or Ac-d-Phe-Pro-Arg-TS (TS = transition state analog electrophilic center) and related scaffolds led to the design of novel P-2-P-4-azapeptidomimetic P-1-argininal and P-1-ketoargininamide derivatives (3a-j). The synthesis and biological activity of these potential serine protease inhibitors are presented. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00005-x