2-Benzyl-3-[(benzyloxycarbonylamino-phenyl-methyl)-hydroxy-phosphinoyl]-propionic acid methyl ester | 234452-60-9

• 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: 2-Benzyl-3-[(benzyloxycarbonylamino-phenyl-methyl)-hydroxy-phosphinoyl]-propionic acid methyl ester
• CAS: 234452-60-9
• 化学式: C₂₆H₂₈NO₆P
• 分子量: 481.485
• InChiKey: AULCHTCLAMHRRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  101.93
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-Benzyl-3-[(benzyloxycarbonylamino-phenyl-methyl)-hydroxy-phosphinoyl]-propionic acid methyl ester 在 sodium hydroxide 作用下， 生成 2-benzyl-3-[hydroxy-[phenyl(phenylmethoxycarbonylamino)methyl]phosphoryl]propanoic acid
  参考文献：
  名称：

  Design of the first highly potent and selective aminopeptidase N (EC 3.4.11.2) inhibitor

  摘要：

  A series of phosphinic compounds mimicking the transition state of substrates hydrolysed by aminopeptidase N (EC 3.4.11.2) were synthesized. These new compounds have potent inhibitory activities with Ki values in the nanomolar range. These derivatives behave as the most potent APN inhibitors designed to date.

  DOI：

  10.1016/s0960-894x(99)00219-x
• 作为产物：
  描述：

  2-苄基丙烯酸甲酯 、 N-benzyloxycarbonyl-1-amino-1-phenylmethylphosphinic acid 在 N,O-双三甲硅基乙酰胺 作用下， 生成 2-Benzyl-3-[(benzyloxycarbonylamino-phenyl-methyl)-hydroxy-phosphinoyl]-propionic acid methyl ester
  参考文献：
  名称：

  Design of the first highly potent and selective aminopeptidase N (EC 3.4.11.2) inhibitor

  摘要：

  A series of phosphinic compounds mimicking the transition state of substrates hydrolysed by aminopeptidase N (EC 3.4.11.2) were synthesized. These new compounds have potent inhibitory activities with Ki values in the nanomolar range. These derivatives behave as the most potent APN inhibitors designed to date.

  DOI：

  10.1016/s0960-894x(99)00219-x