2-[1-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-phenyl}-meth-(E)-ylidene]-succinic acid 1-ethyl ester | 321371-25-9

• 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: 2-[1-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-phenyl}-meth-(E)-ylidene]-succinic acid 1-ethyl ester
• CAS: 321371-25-9
• 化学式: C₂₂H₂₅NO₅
• 分子量: 383.444
• InChiKey: LHIFDGHMPPPPAO-QGOAFFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  85.72
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-[1-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-phenyl}-meth-(E)-ylidene]-succinic acid 1-ethyl ester 在 sodium hydroxide 、 1-羟基苯并三唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2E)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-4-oxobutanoic 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：

  4-[2-(5-乙基-2-吡啶基)乙氧基]苯甲醛 、 丁二酸二乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-[1-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-phenyl}-meth-(E)-ylidene]-succinic acid 1-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