(+/-) Ethyl 2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoate | 408513-16-6

• 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: (+/-) Ethyl 2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoate
• 英文别名: ethyl 2-ethoxy-3-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenyl]propanoate
• CAS: 408513-16-6
• 化学式: C₂₇H₃₂N₂O₅
• 分子量: 464.561
• InChiKey: CKAVOIOLMLCICR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  sodium;hydride 、 2-ethyl-6-phenylpyrimidin-4-one 、 溴化锂 、 ethyl 2-ethoxy-3-[4-(2-bromoethoxy)-phenyl]propanoate 在 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 crude compound 、 silica gel 、 乙醚 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 18.33h， 以ether (3:7) to yield the title compound as a liquid (900 mg, 21%)的产率得到(+/-) Ethyl 2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoate
  参考文献：
  名称：

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

  摘要：

  本发明涉及一种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，本发明涉及一种新型β-芳基-α-氧代取代基烷基羧酸的通式(I)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。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通式(I)化合物制备中的应用。

  公开号：

  US07053217B2

文献信息

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

  公开号：US07157581B2

  公开（公告）日：2007-01-02

  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).

  本发明涉及一种新型的抗肥胖和降低胆固醇的化合物，其衍生物，类似物，互变异构体，立体异构体，多晶形式，其药学上可接受的盐，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，本发明涉及一种新型的β-芳基-α-氧代取代烷基羧酸通式（I）的化合物，其衍生物，类似物，互变异构体，立体异构体，多晶形式，其药学上可接受的盐，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化合物，其类似物，衍生物，互变异构体，立体异构体，多晶形式，其药学上可接受的盐，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的方法。本发明还涉及新型中间体，其制备方法及其在通式（I）化合物制备中的应用。
• 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
• US7157581B2
  申请人：——

  公开号：US7157581B2

  公开（公告）日：2007-01-02