(E)-ethyl 8-tert-butyl-6-(3-(4-(4-ethoxy-4-oxobutoxy)phenyl)-3-oxoprop-1-enyl)-2-oxo-2H-chromene-3-carboxylate | 1444002-80-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-ethyl 8-tert-butyl-6-(3-(4-(4-ethoxy-4-oxobutoxy)phenyl)-3-oxoprop-1-enyl)-2-oxo-2H-chromene-3-carboxylate
• 英文别名: ethyl 8-tert-butyl-6-[(E)-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]-3-oxoprop-1-enyl]-2-oxochromene-3-carboxylate
• CAS: 1444002-80-5
• 化学式: C₃₁H₃₄O₈
• 分子量: 534.606
• InChiKey: MPZWCCJTDIVYQJ-XNTDXEJSSA-N

物化性质

• 熔点：
  172-174 °C
• 沸点：
  689.6±55.0 °C(predicted)
• 密度：
  1.197±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  39
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对羟基苯乙酮 在 哌啶 、 盐酸 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 乙腈 为溶剂， 反应 4.5h， 生成 (E)-ethyl 8-tert-butyl-6-(3-(4-(4-ethoxy-4-oxobutoxy)phenyl)-3-oxoprop-1-enyl)-2-oxo-2H-chromene-3-carboxylate
  参考文献：
  名称：

  Coumarin chalcone fibrates: A new structural class of lipid lowering agents

  摘要：

  In our continuing search for safe and efficacious antidyslipidemic agents, structurally interesting coumarin-chalcone fibrates were synthesized and evaluated in triton WR-1339 induced hyperlipidemic rats. The most active compound 41 decreased the total cholesterol (TC), phospholipids (PL) and triglycerides (TG), of hyperlipidemic rats by 26, 24, and 25% respectively. In addition, the compound 41 significantly reversed the levels of VLDL, LDL HDL and also increased the LPL activity. Altogether, our data suggests that these novel hybrids would be a potential new class of therapeutic agents against dyslipidemia. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.04.026

文献信息

• Coumarin chalcone fibrates: A new structural class of lipid lowering agents
  作者：Koneni V. Sashidhara、Gopala Reddy Palnati、Ravi Sonkar、Srinivasa Rao Avula、Chetan Awasthi、Gitika Bhatia

  DOI：10.1016/j.ejmech.2013.04.026

  日期：2013.6

  In our continuing search for safe and efficacious antidyslipidemic agents, structurally interesting coumarin-chalcone fibrates were synthesized and evaluated in triton WR-1339 induced hyperlipidemic rats. The most active compound 41 decreased the total cholesterol (TC), phospholipids (PL) and triglycerides (TG), of hyperlipidemic rats by 26, 24, and 25% respectively. In addition, the compound 41 significantly reversed the levels of VLDL, LDL HDL and also increased the LPL activity. Altogether, our data suggests that these novel hybrids would be a potential new class of therapeutic agents against dyslipidemia. (C) 2013 Elsevier Masson SAS. All rights reserved.