ethyl 3-(5-(benzyloxy)pyridin-2-yl)-2-ethoxypropanoate | 918831-55-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 3-(5-(benzyloxy)pyridin-2-yl)-2-ethoxypropanoate
• CAS: 918831-55-7
• 化学式: C₁₉H₂₃NO₄
• 分子量: 329.396
• InChiKey: ZYYVEASATGULQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  57.65
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-(5-(benzyloxy)pyridin-2-yl)-2-ethoxypropanoate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 2-Ethoxy-3-(5-hydroxy-pyridin-2-yl)-propionic acid ethyl ester
  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：

  2-乙氧基乙酸乙酯 、 5-(苄氧基)-2-(氯甲基)吡啶 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 ethyl 3-(5-(benzyloxy)pyridin-2-yl)-2-ethoxypropanoate
  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