| 1160811-25-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1160811-25-5
• 化学式: C₂₇H₂₉NO₆S
• 分子量: 495.596
• InChiKey: MYKRIBNIIJCHOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  35.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.02
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 2-Methoxy-3-(4-(2-(2-(2-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic 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：

  ethyl 3-hydroxy-2-methoxy-3-(4-(2-(2-(2-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoate 在 三乙基硅烷 、 三氟乙酸 作用下， 生成
  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