9-(2-oxo-2-phenyl-ethyl)-2-(4-pyridinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one hydrochloride | 760214-85-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-(2-oxo-2-phenyl-ethyl)-2-(4-pyridinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one hydrochloride
• 英文别名: 9-phenacyl-2-pyridin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;hydrochloride
• CAS: 760214-85-5
• 化学式: C₂₁H₁₇F₃N₄O₂*ClH
• 分子量: 450.848
• InChiKey: HACWOBFVOUVKAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  65.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴苯乙酮 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 16.25h， 生成 9-(2-oxo-2-phenyl-ethyl)-2-(4-pyridinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one hydrochloride
  参考文献：
  名称：

  Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives

  摘要：

  本发明涉及一种代表式（I）的取代嘧啶酮衍生物或其盐：其中：X表示两个氢原子、一个硫原子、一个氧原子或C1-2烷基和一个氢原子；Y表示键、羰基、可选地取代的亚甲基；R1表示2、3或4-吡啶环或2、4或5-嘧啶环，环上可选地取代；R2表示苯基或萘环；苯基和萘环可选地取代；R3表示氢原子或C1-6烷基；R4表示C1-2全氟烷基或C1-3卤代烷基；R5表示氢原子、C1-6烷基或卤素原子；n表示0至3；p+q=0-3。本发明还涉及一种药物，包括所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活动引起的神经退行性疾病，如阿尔茨海默病。

  公开号：

  EP1460076A1

文献信息

• Use of Substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] Pyrimidin-4-one Derivatives as Therapeutic Agents
  申请人：LOCHEAD Alistair

  公开号：US20070191384A1

  公开（公告）日：2007-08-16

  The invention relates to use of a substituted-pyrimidone derivative represented by formula (I) or a salt thereof: wherein X, Y, R1, R2, R3, R4, R5, n, p and q are as described herein for treating a variety of disease states. More specifically, the invention relates to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a disease caused by abnormal activity of GSK3β, such as Pick's disease.

  本发明涉及使用代表式（I）或其盐的取代嘧啶酮衍生物，其中X，Y，R1，R2，R3，R4，R5，n，p和q如本文所述，用于治疗各种疾病状态。更具体地说，本发明涉及一种药物，包括所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β异常活动引起的疾病，例如皮克氏病。
• SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES
  申请人：Sanofi-Aventis

  公开号：EP1608653A1

  公开（公告）日：2005-12-28
• US7217715B2
  申请人：——

  公开号：US7217715B2

  公开（公告）日：2007-05-15
• US7393853B2
  申请人：——

  公开号：US7393853B2

  公开（公告）日：2008-07-01
• [EN] SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES<br/>[FR] DERIVES DE 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A] PYRIMIDIN-4-ONE SUBSTITUES
  申请人：SANOFI SYNTHELABO

  公开号：WO2004083210A1

  公开（公告）日：2004-09-30

  The invention relates to a substituted-pyrimidone derivative represented by formula (I) or a salt thereof, wherein: X represents two hydrogen atom, a sulfur atom, an oxygen atom or a C1-2 alkyl group and a hydrogen atom; Y represents a bond, a carbonyl group, a methylene group optionally substituted; R1 represents a 2, 3 or 4-pyridine ring or a 2, 4 or 5-pyrimidine ring, the rings being optionally substituted; R2 represents a phenyl group or a naphthalene ring; the phenyl group and the naphthalene ring being optionally substituted; R3 represents a hydrogen atour or a C1-6 alkyl group; R4 represents a C1-2 perhalogenated alkyl group or a C1-3 halogenated alkyl group; R5 represents a hydrogen atour; a C1-6 alkyl group or a halogen atom; n represents 0 to 3; and p+q=0 to 3. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β, such as Alzheimer disease.