6-(1H-imidazol-1-yl)-2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzo[d]imidazole-4-carbaldehyde | 938462-15-8

• 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: 6-(1H-imidazol-1-yl)-2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzo[d]imidazole-4-carbaldehyde
• CAS: 938462-15-8
• 化学式: C₁₆H₁₁N₅O₂
• 分子量: 305.296
• InChiKey: YJWPJNNSJNILLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.43
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6-(1H-imidazol-1-yl)-2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzo[d]imidazole-4-carbaldehyde 在 氨 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 生成 C₁₆H₁₄N₆O
  参考文献：
  名称：

  Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R)

  摘要：

  The discovery and synthesis of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one inhibitors of insulin-like growth factor I receptor (IGF-1R) are presented. Installing amine containing side chains at the 4-position of pyridone ring significantly improved the enzyme potency. SAR and biological activity of these compounds is presented. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.102
• 作为产物：
  描述：

  C₁₈H₁₆N₅O₅Cl 在 铁粉 、 溶剂黄146 作用下， 生成 6-(1H-imidazol-1-yl)-2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzo[d]imidazole-4-carbaldehyde
  参考文献：
  名称：

  Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R)

  摘要：

  The discovery and synthesis of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one inhibitors of insulin-like growth factor I receptor (IGF-1R) are presented. Installing amine containing side chains at the 4-position of pyridone ring significantly improved the enzyme potency. SAR and biological activity of these compounds is presented. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.102