O,O-bis(2-cyanoethyl) methyl (S)-1-carbomethoxybutanoate phosphorothionate | 560063-88-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: O,O-bis(2-cyanoethyl) methyl (S)-1-carbomethoxybutanoate phosphorothionate
• CAS: 560063-88-9
• 化学式: C₁₃H₁₉N₂O₇PS
• 分子量: 378.343
• InChiKey: KKVMXSILWZIVSB-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  24.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  127.87
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  O,O-bis(2-cyanoethyl) methyl (S)-1-carbomethoxybutanoate phosphorothionate 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 O-((S)-1-carboxybutanoic acid) phosphorothionic acid
  参考文献：
  名称：

  Inhibition of Glutamate Carboxypeptidase by Phosphoryl and Thiophosphoryl Derivatives of Glutamic and 2-Hydroxyglutaric Acid

  摘要：

  Representative phosphoryl and thiophosphoryl derivatives of (S)glutamic or (S)-2-hydroxyglutaric acid were synthesized and evaluated for their inhibitory potency against the glutamate carboxypeptidase, carboxypeptidase G (CPG). It was observed that the inhibition of CPG was highly sensitive to the individual phosphorus ligands. The most potent inhibitors were the dibasic phosphoryl and thiophosphoryl derivatives of glutamic acid and the monobasic thiophosporyl derivatives of 2-hydroxyglutaric acid.

  DOI：

  10.1080/10426500307817
• 作为产物：
  描述：

  双(2-氰乙基)-N,N-二异丙基亚磷酰胺 在 四氮唑 、 sulfur 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.5h， 生成 O,O-bis(2-cyanoethyl) methyl (S)-1-carbomethoxybutanoate phosphorothionate
  参考文献：
  名称：

  Inhibition of Glutamate Carboxypeptidase by Phosphoryl and Thiophosphoryl Derivatives of Glutamic and 2-Hydroxyglutaric Acid

  摘要：

  Representative phosphoryl and thiophosphoryl derivatives of (S)glutamic or (S)-2-hydroxyglutaric acid were synthesized and evaluated for their inhibitory potency against the glutamate carboxypeptidase, carboxypeptidase G (CPG). It was observed that the inhibition of CPG was highly sensitive to the individual phosphorus ligands. The most potent inhibitors were the dibasic phosphoryl and thiophosphoryl derivatives of glutamic acid and the monobasic thiophosporyl derivatives of 2-hydroxyglutaric acid.

  DOI：

  10.1080/10426500307817