(-)2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoic acid | 408512-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (-)2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoic acid
• 英文别名: 2-ethoxy-3-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenyl]propanoic acid
• CAS: 408512-97-0
• 化学式: C₂₅H₂₈N₂O₅
• 分子量: 436.508
• InChiKey: JGGWLNRAZKSSAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (-)2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoic acid 在 sodium methylate 作用下， 以 异丙醇 为溶剂， 生成 (+/-)-Ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoic acid sodium salt
  参考文献：
  名称：

  Pharmaceutically acceptable salts of heterocyclic compounds

  摘要：

  本发明涉及通式（I）的药用可接受盐，它们的衍生物、类似物、互变异构体、立体异构体、多型体、药用可接受溶剂合物以及含有它们的药用可接受组合物。

  公开号：

  US20020169175A1
• 作为产物：
  描述：

  、 (+/-) Ethyl 2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoate 、 sodium hydroxide 在 (±) ethyl-2-ethoxy-3-[4-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl 、 水 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 乙醚 作用下， 以 水 为溶剂， 反应 1.0h， 以to give a white solid (380 mg, 96%) mp: 138–140° C.的产率得到(-)2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoic acid
  参考文献：
  名称：

  Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them

  摘要：

  本发明涉及新型抗肥胖和降低胆固醇的化合物，它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。更具体地说，本发明涉及一般式(I)的新型β-芳基-α-氧基取代烷基羧酸，它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。本发明还涉及上述新型化合物、它们的类似物、衍生物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药物组合物的制备方法。本发明还涉及新型中间体、其制备方法及其在式(I)化合物制备中的应用。

  公开号：

  US06369067B1

文献信息

• Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them
  申请人：Dr. Reddy's Research Foundation

  公开号：US06369067B1

  公开（公告）日：2002-04-09

  The present invention relates to novel antiobesity and hypocholesterolemic compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. More particularly, the present invention relates to novel &bgr;-aryl-&agr;-oxysubstituted alkylcarboxylic acids of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. The present invention also relates to a process for the preparation of the above said novel compounds, their analogs, their derivatives, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutical compositions containing them. The present invention also relates to novel intermediates, processes for their preparation and their use in the preparation of compounds of formula (I).

  本发明涉及新型抗肥胖和降胆固醇化合物，它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。更具体地说，本发明涉及一般式（I）的新型β-芳基-α-氧基取代的烷基羧酸、它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。本发明还涉及一种制备上述新型化合物、类似物、衍生物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药物组合物的方法。本发明还涉及新型中间体、制备它们的方法以及它们在制备式（I）化合物中的用途。
• New monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them
  申请人：Gurram Madhavan Ranga

  公开号：US20060089500A1

  公开（公告）日：2006-04-27

  The present invention relates to novel antiobesity and hypocholesterolemic compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. More particularly, the present invention relates to novel β-aryl-α-oxysubstituted alkylcarboxylic acids of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. The present invention also relates to a process for the preparation of the above said novel compounds, their analogs, their derivatives, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutical compositions containing them. The present invention also relates to novel intermediates, processes for their preparation and their use in the preparation of compounds of formula (I).

  本发明涉及新型抗肥胖和降低胆固醇的化合物，它们的衍生物、类似物、互变异构体、立体异构体、多形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。更具体地，本发明涉及一般式（I）的新型β-芳基-α-氧代取代烷基羧酸，它们的衍生物、类似物、互变异构体、立体异构体、多形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。本发明还涉及上述新型化合物、类似物、衍生物、互变异构体、立体异构体、多形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药物组合物的制备方法。本发明还涉及新型中间体，其制备方法及其在式（I）化合物的制备中的应用。
• SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP1363913A2

  公开（公告）日：2003-11-26
• US6369067B1
  申请人：——

  公开号：US6369067B1

  公开（公告）日：2002-04-09
• US7053217B2
  申请人：——

  公开号：US7053217B2

  公开（公告）日：2006-05-30