N-(3-ethoxyphenyl)-2,6-difluorobenzimidamide | 1061518-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(3-ethoxyphenyl)-2,6-difluorobenzimidamide
• CAS: 1061518-27-1
• 化学式: C₁₅H₁₄F₂N₂O
• 分子量: 276.286
• InChiKey: JMPFWZOIXSDNAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  45.11
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-溴丙酮酸乙酯 、 N-(3-ethoxyphenyl)-2,6-difluorobenzimidamide 在 碳酸氢钠 作用下， 生成 ethyl 2-(2,6-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  Discovery of imidazole carboxamides as potent and selective CCK1R agonists

  摘要：

  High-throughput screening revealed diaryl pyrazole 3 as a selective albeit modest cholecystokinin 1 receptor (CCK1R) agonist. SAR studies led to the discovery and optimization of a novel class of 1,2-diaryl imidazole carboxamides. Compound 44, which was pro. led extensively, showed good in vivo mouse gallbladder emptying (mGBE) and lean mouse overnight food intake (ONFI) reduction activities. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.057
• 作为产物：
  描述：

  2,6-二氟苯腈 、 间氨基苯乙醚 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 N-(3-ethoxyphenyl)-2,6-difluorobenzimidamide
  参考文献：
  名称：

  Discovery of imidazole carboxamides as potent and selective CCK1R agonists

  摘要：

  High-throughput screening revealed diaryl pyrazole 3 as a selective albeit modest cholecystokinin 1 receptor (CCK1R) agonist. SAR studies led to the discovery and optimization of a novel class of 1,2-diaryl imidazole carboxamides. Compound 44, which was pro. led extensively, showed good in vivo mouse gallbladder emptying (mGBE) and lean mouse overnight food intake (ONFI) reduction activities. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.057