(+/-) Ethyl 3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate | 447410-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: (+/-) Ethyl 3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate
• 英文别名: Ethyl 3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate
• CAS: 447410-58-4
• 化学式: C₂₅H₃₄N₄O₅
• 分子量: 470.569
• InChiKey: RUKRXLNEIPWUSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (+/-) Ethyl 3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate 在 sodium carbonate 作用下， 以 水合甲醇 为溶剂， 以78%的产率得到3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropionic acid
  参考文献：
  名称：

  Fused 7-oxo-pyrimidinyl compounds, preparation, composition and use thereof

  摘要：

  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合物以及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-氧代烷基羧酸，其衍生物，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合物以及含有它们的药学上可接受的组合物。本发明还涉及制备上述新型化合物，其类似物，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合物以及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，其制备方法以及在制备式（I）化合物中的使用。

  公开号：

  US06444816B1

文献信息

• A method for producing optically active lactone compounds by using salen cobalt complexes having a CIS-Beta structure
  申请人：KYUSHU UNIVERSITY

  公开号：EP1288210A2

  公开（公告）日：2003-03-05

  A method for producing an optically active lactone compound by Baeyer-Villiger oxidation of a cyclic ketone compound with at least one kind of oxidants selected from the group consisting of hydrogen peroxide and urine-hydrogen peroxide adduct (UHP) using a cobalt(salen) complex having a cis-β structure expressed by the following formula (I) or (II) as a catalyst. in which X and Y independently denote H, a t-butyl group or an electron-withdrawing substituting group and W is a halogen element. in which X and Y independently denote H, a t-butyl group or an electron-withdrawing substituting group and Z- is a monovalent anion. The optically active lactone compounds can be used for the synthesis of medicines and argochemicals.

  一种利用具有下式(I)或(II)表示的顺式-β结构的钴(salen)络合物作为催化剂，通过环酮化合物与至少一种选自过氧化氢和尿-过氧化氢加合物(UHP)组成的组的氧化剂进行拜耳-维里格氧化反应生产光学活性内酯化合物的方法。 其中 X 和 Y 分别表示 H、叔丁基或抽电子取代基，W 为卤素元素。 其中 X 和 Y 分别表示 H、叔丁基或抽电子取代基，Z- 是一价阴离子。光学活性内酯化合物可用于合成药物和芳香化学品。
• ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP1363914A1

  公开（公告）日：2003-11-26
• US6444816B1
  申请人：——

  公开号：US6444816B1

  公开（公告）日：2002-09-03
• [EN] ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS<br/>[FR] ACIDES ALKYLCARBOXYLIQUES SUBSTITUES PAR ARYLE UTILISES COMME AGENTS HYPOCHOLESTEROLEMIQUES
  申请人：REDDY RESEARCH FOUNDATION

  公开号：WO2002062799A1

  公开（公告）日：2002-08-15

  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 b-aryl-a-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.
• Fused 7-oxo-pyrimidinyl compounds, preparation, composition and use thereof
  申请人：Dr. Reddy's Research Foundation

  公开号：US06444816B1

  公开（公告）日：2002-09-03

  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合物以及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-氧代烷基羧酸，其衍生物，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合物以及含有它们的药学上可接受的组合物。本发明还涉及制备上述新型化合物，其类似物，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合物以及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，其制备方法以及在制备式（I）化合物中的使用。