2-(6-{2-[2-(4-Methoxy-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-pyridin-3-ylmethyl)-tetrahydro-furan-2-carboxylic acid ethyl ester | 1058703-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(6-{2-[2-(4-Methoxy-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-pyridin-3-ylmethyl)-tetrahydro-furan-2-carboxylic acid ethyl ester
• CAS: 1058703-08-4
• 化学式: C₂₆H₃₀N₂O₆
• 分子量: 466.534
• InChiKey: FQGJCJQDPQBVEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  92.91
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-(6-{2-[2-(4-Methoxy-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-pyridin-3-ylmethyl)-tetrahydro-furan-2-carboxylic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 16.0h， 生成 2-((6-(2-(2-(4-Methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
  参考文献：
  名称：

  Pyridine-3-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents

  摘要：

  A series of novel pyridine-3-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, compounds (S)-14 and (S)-19 were selected for further profiling.

  DOI：

  10.1016/j.bmcl.2006.08.110
• 作为产物：
  描述：

  2-四氢糠酸乙酯 在 racemic-2-(di-tert-butylphosphino)-1,1′-binaphthyl 、 palladium diacetate 、 sodium hexamethyldisilazane 、 caesium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 19.0h， 生成 2-(6-{2-[2-(4-Methoxy-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-pyridin-3-ylmethyl)-tetrahydro-furan-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Pyridine-3-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents

  摘要：

  A series of novel pyridine-3-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, compounds (S)-14 and (S)-19 were selected for further profiling.

  DOI：

  10.1016/j.bmcl.2006.08.110