2-[3-[3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]acetic acid | 1265140-87-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[3-[3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]acetic acid
• CAS: 1265140-87-1
• 化学式: C₂₃H₂₁NO₄
• 分子量: 375.424
• InChiKey: PNYLWCJKWHGREU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  68.53
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  [1-(2-propenyl)-1H-pyrrol-2-yl] [4-methoxyphenyl] ketone 、 3-碘苯乙酸 在 N-甲基二环己基胺 、 苄基三乙基氯化铵 、 palladium diacetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[3-[3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]acetic acid
  参考文献：
  名称：

  Development of a new class of benzoylpyrrole-based PPARα/γ activators

  摘要：

  Starting with a subtle blood glucose-lowering effect of a TGF-beta inhibitor, we designed and synthesized a series of benzoylpyrrole-based carboxylic acids as PPARs activators. Among these compounds, 10sNa exhibited favorable blood glucose-lowering effect without body weight gain. We assume that the beneficial effect of 10sNa is attributed to not only its compound PPAR alpha agonistic activity but also its PPAR gamma partial agonistic activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.032

文献信息

• Development of a new class of benzoylpyrrole-based PPARα/γ activators
  作者：Kantaro Ushiroda、Katsunori Maruta、Makoto Kitoh、Kiyotaka Iwai、Jun Nagamine、Atsushi Tsuchida、Mutsuo Taiji、Ryu Nagata

  DOI：10.1016/j.bmcl.2010.11.032

  日期：2011.1

  Starting with a subtle blood glucose-lowering effect of a TGF-beta inhibitor, we designed and synthesized a series of benzoylpyrrole-based carboxylic acids as PPARs activators. Among these compounds, 10sNa exhibited favorable blood glucose-lowering effect without body weight gain. We assume that the beneficial effect of 10sNa is attributed to not only its compound PPAR alpha agonistic activity but also its PPAR gamma partial agonistic activity. (C) 2010 Elsevier Ltd. All rights reserved.