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 | 446292-24-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 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
• 英文别名: 3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid；3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid
• CAS: 446292-24-6
• 化学式: C₂₃H₃₀N₄O₅
• 分子量: 442.515
• InChiKey: UAPQKLTXQPVJGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  665.0±65.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  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 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 (+/-)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 potassium 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 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

• 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
• 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.
• [EN] PHARMACEUTICALLY ACCEPTABLE SALTS OF HETEROCYCLIC COMPOUNDS<br/>[FR] SELS DE COMPOSES HETEROCYCLIQUES PHARMACEUTIQUEMENT ACCEPTABLES
  申请人：REDDY RESEARCH FOUNDATION

  公开号：WO2002062798A2

  公开（公告）日：2002-08-15

  The present invention relates to pharmaceutically acceptable salts of compound of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. The present invention relates to pharmaceutically acceptable salts of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs and pharmaceutically acceptable compositions containing them.