4-(3aR,7aS)-Octahydro-isoindol-2-yl-4-oxo-2-[1-{4-[3-(4-trifluoromethyl-phenyl)-propoxy]-phenyl}-meth-(E)-ylidene]-butyric acid ethyl ester | 312690-53-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-(3aR,7aS)-Octahydro-isoindol-2-yl-4-oxo-2-[1-{4-[3-(4-trifluoromethyl-phenyl)-propoxy]-phenyl}-meth-(E)-ylidene]-butyric acid ethyl ester
• 英文别名: ethyl (2E)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxo-2-[[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]methylidene]butanoate
• CAS: 312690-53-2
• 化学式: C₃₁H₃₆F₃NO₄
• 分子量: 543.626
• InChiKey: DRENPIHESMUYIJ-IABWQBQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(3aR,7aS)-Octahydro-isoindol-2-yl-4-oxo-2-[1-{4-[3-(4-trifluoromethyl-phenyl)-propoxy]-phenyl}-meth-(E)-ylidene]-butyric acid ethyl ester 在 sodium hydroxide 作用下， 生成 4-(3aR,7aS)-Octahydro-isoindol-2-yl-4-oxo-2-[1-{4-[3-(4-trifluoromethyl-phenyl)-propoxy]-phenyl}-meth-(E)-ylidene]-butyric acid
  参考文献：
  名称：

  Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer

  摘要：

  Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00491-1
• 作为产物：
  描述：

  丁二酸二乙酯 在 sodium ethanolate 、 potassium carbonate 、 1-羟基苯并三唑 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 4-(3aR,7aS)-Octahydro-isoindol-2-yl-4-oxo-2-[1-{4-[3-(4-trifluoromethyl-phenyl)-propoxy]-phenyl}-meth-(E)-ylidene]-butyric acid ethyl ester
  参考文献：
  名称：

  Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer

  摘要：

  Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00491-1