4-Isocyanatobenzamide | 785806-56-6

• 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: 4-Isocyanatobenzamide
• CAS: 785806-56-6
• 化学式: C₈H₆N₂O₂
• 分子量: 162.148
• InChiKey: ARCYRXRMLLAWIW-UHFFFAOYSA-N

物化性质

• 沸点：
  317.9±25.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三光气 、 对氨基苯甲酰胺 以 1,2-二氯乙烷 为溶剂， 反应 0.17h， 生成 4-Isocyanatobenzamide
  参考文献：
  名称：

  Effect of the structure of adenosine mimic of bisubstrate-analog inhibitors on their activity towards basophilic protein kinases

  摘要：

  Previously reported structural fragments that associate with the ATP-binding pocket of basophilic protein kinases were conjugated with D-arginine-containing peptides. Inhibitory potency of the resulting bisubstrate-analog inhibitors towards PKA and ROCK-II extended to subnanomolar range. The conjugates incorporating 2-pyrimidyl-5-amidothiophene fragment had the highest activity and at 100 nM concentration exhibited over 80% inhibition of most of the tested basophilic kinases of the AGC group. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.026

文献信息

• Effect of the structure of adenosine mimic of bisubstrate-analog inhibitors on their activity towards basophilic protein kinases
  作者：Erki Enkvist、Marie Kriisa、Mart Roben、Grete Kadak、Gerda Raidaru、Asko Uri

  DOI：10.1016/j.bmcl.2009.09.026

  日期：2009.11

  Previously reported structural fragments that associate with the ATP-binding pocket of basophilic protein kinases were conjugated with D-arginine-containing peptides. Inhibitory potency of the resulting bisubstrate-analog inhibitors towards PKA and ROCK-II extended to subnanomolar range. The conjugates incorporating 2-pyrimidyl-5-amidothiophene fragment had the highest activity and at 100 nM concentration exhibited over 80% inhibition of most of the tested basophilic kinases of the AGC group. (C) 2009 Elsevier Ltd. All rights reserved.