2-[2-(2-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetonitrile | 1017231-83-2

• 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-[2-(2-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetonitrile
• CAS: 1017231-83-2
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: DFCRNIMPPIIAEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2-(2-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetonitrile 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 2-[2-(2-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
  参考文献：
  名称：

  Aleglitazar, a new, potent, and balanced dual PPARα/γ agonist for the treatment of type II diabetes

  摘要：

  Design, synthesis, and SAR of novel alpha-alkoxy-beta-arylpropionic acids as potent and balanced PPARalphagamma coagonists are described. One representative thereof, Aleglitazar ((S)-2Aa), was chosen for clinical development. Its X-ray structure in complex with both receptors as well as its high efficacy in animal models of T2D and dyslipidemia are also presented.

  DOI：

  10.1016/j.bmcl.2009.03.036
• 作为产物：
  描述：

  4-(氯甲基)-2-(2-甲氧苯基)-5-甲基-1,3-恶唑 、 氰化钠 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 2-[2-(2-Methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetonitrile
  参考文献：
  名称：

  Aleglitazar, a new, potent, and balanced dual PPARα/γ agonist for the treatment of type II diabetes

  摘要：

  Design, synthesis, and SAR of novel alpha-alkoxy-beta-arylpropionic acids as potent and balanced PPARalphagamma coagonists are described. One representative thereof, Aleglitazar ((S)-2Aa), was chosen for clinical development. Its X-ray structure in complex with both receptors as well as its high efficacy in animal models of T2D and dyslipidemia are also presented.

  DOI：

  10.1016/j.bmcl.2009.03.036

文献信息

• Aleglitazar, a new, potent, and balanced dual PPARα/γ agonist for the treatment of type II diabetes
  作者：Agnes Bénardeau、Jörg Benz、Alfred Binggeli、Denise Blum、Markus Boehringer、Uwe Grether、Hans Hilpert、Bernd Kuhn、Hans Peter Märki、Markus Meyer、Kurt Püntener、Susanne Raab、Armin Ruf、Daniel Schlatter、Peter Mohr

  DOI：10.1016/j.bmcl.2009.03.036

  日期：2009.5

  Design, synthesis, and SAR of novel alpha-alkoxy-beta-arylpropionic acids as potent and balanced PPARalphagamma coagonists are described. One representative thereof, Aleglitazar ((S)-2Aa), was chosen for clinical development. Its X-ray structure in complex with both receptors as well as its high efficacy in animal models of T2D and dyslipidemia are also presented.