2-[3-[3-[2-(4-Methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetic acid | 1265141-04-5

• 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-Methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetic acid
• CAS: 1265141-04-5
• 化学式: C₂₃H₂₁NO₄
• 分子量: 375.424
• InChiKey: CNBLGGYQBCKUKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[3-[3-[2-(4-Methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetic acid 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以86%的产率得到sodium;2-[3-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetate
  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
• 作为产物：
  描述：

  ethyl 2-(3-(3-(2-(4-methylbenzoyl)-1H-pyrrol-1-yl)prop-1-en-1-yl)phenoxy)acetate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2-[3-[3-[2-(4-Methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]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

• Pyrrole derivative
  申请人：——

  公开号：US20040162331A1

  公开（公告）日：2004-08-19

  A novel pyrrole derivative represented by the following formula (1) and a salt thereof: 1 wherein R 1 means substituted alkenyl, etc.; R 2 means substituted benzoyl, etc.; and R 3 to R 5 each means hydrogen, alkyl, halogeno, etc. The derivative and salt have antidiabetic activity.

  一种新的吡咯衍生物及其盐，其化学式如下（1）：其中，R1代表取代烯丙基等；R2代表取代苯甲酰基等；R3至R5各自代表氢、烷基、卤素等。该衍生物及其盐具有抗糖尿病活性。
• PYRROLE DERIVATIVE
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1386913B1

  公开（公告）日：2008-07-16
• US7220773B2
  申请人：——

  公开号：US7220773B2

  公开（公告）日：2007-05-22
• 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.