Tert-butyl 4-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidine-1-carboxylate | 1147095-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Tert-butyl 4-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidine-1-carboxylate
• CAS: 1147095-06-4
• 化学式: C₂₄H₃₁N₃O₄
• 分子量: 425.528
• InChiKey: SRQNFRKWZOGHCD-UHFFFAOYSA-N

物化性质

• 沸点：
  593.5±50.0 °C(predicted)
• 密度：
  1.19±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidine-1-carboxylate 、 碘甲烷 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of N-alkyl glycine amides as potent inhibitors of leukotriene A4 hydrolase

  摘要：

  The synthesis and biological evaluation of a series of N-alkyl glycine amide analogs as LTA(4)-h inhibitors and the importance of the introduction of a benzoic acid group to the potency and pharmacokinetic parameters of our analogs are described. The lead compound in the series, 4q, has excellent potency and oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.046
• 作为产物：
  描述：

  2-bromo-N-(4-phenoxyphenyl)acetamide 、 1-Boc-4-氨基哌啶 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 Tert-butyl 4-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis of N-alkyl glycine amides as potent inhibitors of leukotriene A4 hydrolase

  摘要：

  The synthesis and biological evaluation of a series of N-alkyl glycine amide analogs as LTA(4)-h inhibitors and the importance of the introduction of a benzoic acid group to the potency and pharmacokinetic parameters of our analogs are described. The lead compound in the series, 4q, has excellent potency and oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.046