benzyl ((bis(4-methoxyphenoxy)phosphoryl)(4-nitrophenyl)methyl)carbamate | 890136-20-6

• 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: benzyl ((bis(4-methoxyphenoxy)phosphoryl)(4-nitrophenyl)methyl)carbamate
• CAS: 890136-20-6
• 化学式: C₂₉H₂₇N₂O₉P
• 分子量: 578.515
• InChiKey: ARXCQYITJSGICU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.89
• 重原子数：
  41.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  135.46
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  benzyl ((bis(4-methoxyphenoxy)phosphoryl)(4-nitrophenyl)methyl)carbamate 在 tin(ll) chloride 作用下， 以 乙酸乙酯 为溶剂， 反应 12.0h， 以96%的产率得到
  参考文献：
  名称：

  Inhibition of trypsin and urokinase by Cbz-amino(4-guanidinophenyl)methanephosphonate aromatic ester derivatives: The influence of the ester group on their biological activity

  摘要：

  The urokinase plasminogen activator is a trypsin-like serine protease, important in tumor development. Here, we report the synthesis and biochemical evaluation of selective and potent diaryl esters of phosphonic-type inhibitors for urokinase. We have found that the substituted phenyl ester ring has a strong influence oil the inhibitory activity of these compounds. This led to the most potent phosphonic inhibitor for uPA synthesized to date. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.002
• 作为产物：
  描述：

  氨基甲酸苄酯 、 三(4-甲氧基苯基)亚磷酸酯 、 对硝基苯甲醛 在 溶剂黄146 作用下， 反应 3.0h， 以58%的产率得到benzyl ((bis(4-methoxyphenoxy)phosphoryl)(4-nitrophenyl)methyl)carbamate
  参考文献：
  名称：

  Inhibition of trypsin and urokinase by Cbz-amino(4-guanidinophenyl)methanephosphonate aromatic ester derivatives: The influence of the ester group on their biological activity

  摘要：

  The urokinase plasminogen activator is a trypsin-like serine protease, important in tumor development. Here, we report the synthesis and biochemical evaluation of selective and potent diaryl esters of phosphonic-type inhibitors for urokinase. We have found that the substituted phenyl ester ring has a strong influence oil the inhibitory activity of these compounds. This led to the most potent phosphonic inhibitor for uPA synthesized to date. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.002