4-[4-(6-Methyl-pyridin-2-yl)-5-quinoxalin-6-yl-[1,2,3]triazol-2-yl]-benzonitrile | 710947-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-[4-(6-Methyl-pyridin-2-yl)-5-quinoxalin-6-yl-[1,2,3]triazol-2-yl]-benzonitrile
• CAS: 710947-10-7
• 化学式: C₂₃H₁₅N₇
• 分子量: 389.419
• InChiKey: IZEPKRVTRPAFNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  93.17
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-[4-(6-Methyl-pyridin-2-yl)-5-quinoxalin-6-yl-[1,2,3]triazol-2-yl]-benzonitrile 在 sodium hydroxide 、 双氧水 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以56%的产率得到
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2-pyridinyl-[1,2,3]triazoles as inhibitors of transforming growth factor β1 type 1 receptor

  摘要：

  A series of 2-pyridinyl-[1,2,3]triazoles have been synthesized and evaluated for their ALK5 inhibitory activity in the luciferase reporter assays. Compound 8d showed significant ALK5 inhibition (SBE-luciferase activity, 25%; p3TP-luciferase activity, 17%) at a concentration of 5 muM that is comparable to that of SB-431542 (SBE-luciferase activity, 21%; p3TP-luciferase activity, 12%), but weak p38alpha MAP kinase inhibition (13%) at a concentration of 10 muM that is much lower than that of SB-431542 (54%). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.024
• 作为产物：
  描述：

  6-乙炔喹噁啉 在 copper(l) iodide 、 四(三苯基膦)钯 、 四甲基乙二胺 、 叠氮基三甲基硅烷 、 potassium carbonate 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 4-[4-(6-Methyl-pyridin-2-yl)-5-quinoxalin-6-yl-[1,2,3]triazol-2-yl]-benzonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2-pyridinyl-[1,2,3]triazoles as inhibitors of transforming growth factor β1 type 1 receptor

  摘要：

  A series of 2-pyridinyl-[1,2,3]triazoles have been synthesized and evaluated for their ALK5 inhibitory activity in the luciferase reporter assays. Compound 8d showed significant ALK5 inhibition (SBE-luciferase activity, 25%; p3TP-luciferase activity, 17%) at a concentration of 5 muM that is comparable to that of SB-431542 (SBE-luciferase activity, 21%; p3TP-luciferase activity, 12%), but weak p38alpha MAP kinase inhibition (13%) at a concentration of 10 muM that is much lower than that of SB-431542 (54%). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.024