(S)-3-cyclopropyl-3-(2-oxo-1,2-dihydropyridin-4-yl)propanoic acid | 1556954-11-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-3-cyclopropyl-3-(2-oxo-1,2-dihydropyridin-4-yl)propanoic acid
• CAS: 1556954-11-0
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: GIZFLEBGIXPXGU-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.34
• 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：
  70.16
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (S)-3-cyclopropyl-3-(2-oxo-1,2-dihydropyridin-4-yl)propanoic acid 在 硫酸 、 silver(I) carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 30.0h， 生成
  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
• 作为产物：
  描述：

  5-((2-fluoropyridin-4-yl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione 在 盐酸 、 水 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.6h， 生成 (S)-3-cyclopropyl-3-(2-oxo-1,2-dihydropyridin-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