ethyl 5-(4-methoxyphenoxy)-2-methylbenzofuran-3-carboxylate | 1600534-02-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 5-(4-methoxyphenoxy)-2-methylbenzofuran-3-carboxylate
• 英文别名: Ethyl 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylate；ethyl 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylate
• CAS: 1600534-02-8
• 化学式: C₁₉H₁₈O₅
• 分子量: 326.349
• InChiKey: CTXHVGYKJRVUPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  57.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对苯二酚 在 potassium bromate 、 copper(l) iodide 、 8-羟基喹啉 、 potassium carbonate 、 zinc(II) chloride 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 24.25h， 生成 ethyl 5-(4-methoxyphenoxy)-2-methylbenzofuran-3-carboxylate
  参考文献：
  名称：

  Design, synthesis, docking and anti-inflammatory evaluation of novel series of benzofuran based prodrugs

  摘要：

  Several new benzofuran derivatives were synthesized, via appropriate synthetic route as anti-inflammatory agents. The anti-inflammatory activity of the prepared compounds was evaluated using carrageenan rat model. Among the synthesized compounds, some compounds showed comparable anti-inflammatory activity to nimesulide, the standard drug taken for anti-inflammatory studies. Docking study of the prepared compounds was performed for the study of interaction of molecules with the active site of COX-2. Preliminary biological studies and docking gave an interesting insight, into the validity of employing benzofuran analogues as good anti-inflammatory agent. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.087

文献信息

• Design, synthesis, docking and anti-inflammatory evaluation of novel series of benzofuran based prodrugs
  作者：Pratima Yadav、Praveen Singh、Ashish Kumar Tewari

  DOI：10.1016/j.bmcl.2014.03.087

  日期：2014.5

  Several new benzofuran derivatives were synthesized, via appropriate synthetic route as anti-inflammatory agents. The anti-inflammatory activity of the prepared compounds was evaluated using carrageenan rat model. Among the synthesized compounds, some compounds showed comparable anti-inflammatory activity to nimesulide, the standard drug taken for anti-inflammatory studies. Docking study of the prepared compounds was performed for the study of interaction of molecules with the active site of COX-2. Preliminary biological studies and docking gave an interesting insight, into the validity of employing benzofuran analogues as good anti-inflammatory agent. (C) 2014 Elsevier Ltd. All rights reserved.