| 936633-47-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• CAS: 936633-47-5
• 化学式: C₂₅H₃₁NO₄
• 分子量: 409.525
• InChiKey: XGBOKOLPFASYET-RUZDIDTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 lithium hydroxide 、 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Examination of Acylated 4-Aminopiperidine-4-carboxylic Acid Residues in the Phosphotyrosyl+1 Position of Grb2 SH2 Domain-Binding Tripeptides

  摘要：

  A 4-aminopiperidine-4-carboxylic acid residue was placed in the pTyr+1 position of a Grb2 SH2 domain-binding peptide to form a general platform, which was then acylated with a variety of groups to yield a library of compounds designed to explore potential binding interactions, with protein features lying below the beta D strand. The highest affinities were obtained using phenylethyl carbamate and phenylbutyrylamide functionalities.

  DOI：

  10.1021/jm0614073
• 作为产物：
  描述：

  在 palladium on activated charcoal 、 tris(dibenzylideneacetone)dipalladium (0) 、 三叔丁基膦 4 A molecular sieve 、 氢气 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Examination of Acylated 4-Aminopiperidine-4-carboxylic Acid Residues in the Phosphotyrosyl+1 Position of Grb2 SH2 Domain-Binding Tripeptides

  摘要：

  A 4-aminopiperidine-4-carboxylic acid residue was placed in the pTyr+1 position of a Grb2 SH2 domain-binding peptide to form a general platform, which was then acylated with a variety of groups to yield a library of compounds designed to explore potential binding interactions, with protein features lying below the beta D strand. The highest affinities were obtained using phenylethyl carbamate and phenylbutyrylamide functionalities.

  DOI：

  10.1021/jm0614073