ethyl 1-(9H-purin-6-yl)-1H-1,2,3-triazole-4-carboxylate | 1219801-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: ethyl 1-(9H-purin-6-yl)-1H-1,2,3-triazole-4-carboxylate
• CAS: 1219801-99-6
• 化学式: C₁₀H₉N₇O₂
• 分子量: 259.227
• InChiKey: FDLKISCEKLFQFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  111.47
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 1-(9H-purin-6-yl)-1H-1,2,3-triazole-4-carboxylate 、 三乙胺 在 水 作用下， 生成
  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
• 作为产物：
  描述：

  丙炔酸乙酯 、 6-叠氮-7H-嘌呤 在 copper(II) sulfate 、 维生素 C 作用下， 以 水 为溶剂， 生成 ethyl 1-(9H-purin-6-yl)-1H-1,2,3-triazole-4-carboxylate
  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