| 1556954-36-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1556954-36-9
• 化学式: C₁₁H₁₂ClNO₂
• 分子量: 225.675
• InChiKey: JMBBAABYFBHGRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  50.19
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2-((1R)-2,2-dimethylcyclopentyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methanol 、 在 potassium tert-butylate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 0.33h， 生成 (S)-3-cyclopropyl-3-(2-((3-((R)-2,2-dimethylcyclopentyl)-4-(5-fluoro-2-methoxypyridin-4-yl)benzyl)oxy)pyridin-4-yl)propanoic acid 、 (R)-3-cyclopropyl-3-(2-((3-((R)-2,2-dimethylcyclopentyl)-4-(5-fluoro-2-methoxypyridin-4-yl)benzyl)oxy)pyridin-4-yl)propanoic acid
  参考文献：
  名称：

  Improving the Pharmacokinetics of GPR40/FFA1 Full Agonists

  摘要：

  We recently reported the discovery of a potent GPR40 full agonist AM-1638 (1). Herein, we describe our efforts in improving the drug-like properties of the full agonists through the systematic introduction of polar groups in the C-, D-, and A-rings. This led to the discovery of new GPR40 full agonists with significantly improved pharmacokinetic propeties. Compound 8 and 20 also showed potent in vivo efficacy in oral glucose tolerance tests in mice in addition to the improvement in properties.

  DOI：

  10.1021/ml4005123