ethyl 3-(5-hydroxypyridin-2-yl)-2-methoxy-2-methylpropanoate | 918831-50-2

• 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: ethyl 3-(5-hydroxypyridin-2-yl)-2-methoxy-2-methylpropanoate
• CAS: 918831-50-2
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: SWALAUHSAUZTEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.65
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-(5-hydroxypyridin-2-yl)-2-methoxy-2-methylpropanoate 、 2-(5-甲基-2-苯基-1,3-恶唑-4-基)-1-乙醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 反应 16.0h， 生成 ethyl 2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-2-yl)propanoate
  参考文献：
  名称：

  Pyridine-2-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents

  摘要：

  A series of novel pyridine-2-propanoic acids was synthesized. A structure-activity relationship study of these compounds led to the identification of potent dual PPARalpha/gamma agonists with varied isoform selectivity. Based on the results of efficacy studies in diabetic (db/db) mice, and the desired pharmacokinetic parameters, compound (S)-13 was selected for further profiling.

  DOI：

  10.1016/j.bmcl.2006.08.105
• 作为产物：
  描述：

  C₁₉H₂₃NO₄ 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 ethyl 3-(5-hydroxypyridin-2-yl)-2-methoxy-2-methylpropanoate
  参考文献：
  名称：

  Pyridine-2-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents

  摘要：

  A series of novel pyridine-2-propanoic acids was synthesized. A structure-activity relationship study of these compounds led to the identification of potent dual PPARalpha/gamma agonists with varied isoform selectivity. Based on the results of efficacy studies in diabetic (db/db) mice, and the desired pharmacokinetic parameters, compound (S)-13 was selected for further profiling.

  DOI：

  10.1016/j.bmcl.2006.08.105