2-[1-(4-chlorobenzoyl)-2-methyl-5-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]indol-3-yl]acetic acid | 1173794-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-[1-(4-chlorobenzoyl)-2-methyl-5-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]indol-3-yl]acetic acid
• CAS: 1173794-46-1
• 化学式: C₂₈H₂₃ClN₂O₆
• 分子量: 518.953
• InChiKey: MZYONNBYDJYGCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  98.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzyl 2-(1-(4-chlorobenzoyl)-2-methyl-5-(2-(4-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)ethoxy)-1H-indol-3-yl)acetate 在 10% palladium on activated carbon 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 2-[1-(4-chlorobenzoyl)-2-methyl-5-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]indol-3-yl]acetic acid
  参考文献：
  名称：

  Design, synthesis and insulin-sensitizing activity of indomethacin and diclofenac derivatives

  摘要：

  A series of aromatic acetic acid compounds were designed and synthesized on the basis of Non-steroidal anti-inflammatory drugs indomethacin and diclofenac. Compounds 5a, 7a, 5h, 7h and 17 could strongly promote insulin-regulated differentiation of 3T3-L1 cells in vitro. They acted as full or partial PPAR gamma agonist, or improved insulin resistance through non-PPAR gamma pathway. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.050

文献信息

• Design, synthesis and insulin-sensitizing activity of indomethacin and diclofenac derivatives
  作者：Jiquan Zhang、Jianta Wang、Haoshu Wu、Yaoyao He、Gaofeng Zhu、Xing Cui、Lei Tang

  DOI：10.1016/j.bmcl.2009.04.050

  日期：2009.6

  A series of aromatic acetic acid compounds were designed and synthesized on the basis of Non-steroidal anti-inflammatory drugs indomethacin and diclofenac. Compounds 5a, 7a, 5h, 7h and 17 could strongly promote insulin-regulated differentiation of 3T3-L1 cells in vitro. They acted as full or partial PPAR gamma agonist, or improved insulin resistance through non-PPAR gamma pathway. (C) 2009 Elsevier Ltd. All rights reserved.