(+/-)-[1,6]naphthyridine-5-carboxylic acid (9-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl)-amide | 1036716-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (+/-)-[1,6]naphthyridine-5-carboxylic acid (9-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl)-amide
• 英文别名: N-(9-methyl-4-oxo-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-yl)-1,6-naphthyridine-5-carboxamide
• CAS: 1036716-39-8
• 化学式: C₂₂H₁₉N₇O₂
• 分子量: 413.439
• InChiKey: MCCPZOWAXQBVPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Substituted heteroaryl pyridopyrimidone derivatives
  申请人：Sanofi-Aventis

  公开号：EP1939187A1

  公开（公告）日：2008-07-02

  A pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof : wherein: Y represents two hydrogen atoms, a sulfur atom, an oxygen atom or a C1-2 alkyl group and a hydrogen atom; Z represents a bond, an oxygen atom, a nitrogen atom, a sulphur atom, a methylene group optionally substituted by one or two groups chosen from a C1-6 alkyl group, a hydroxyl group, a C1-6 alkoxy group, a C1-2 perhalogenated alkyl group or an amino group; R1 represents a 2, 3 or 4-pyridine ring or a 2, 4 or 5-pyrimidine ring; R2 represents a 4-15 membered heterocyclic group , R3 represents a hydrogen atom, a C1-6 alkyl group or a halogen atom; R4 and R5 represent, each independently, a hydrogen atom, a C1-6 alkyl group, optionally substituted by 1 to 4 substituents selected from a halogen atom, a phenyl group, a hydroxyl group or a C1-6 alkoxy group; R6 represents a hydrogen atom, a C1-6 alkyl group ; a cycloalkyl group, or a halogen atom; R7 represents a hydrogen atom or a C1-6 alkyl group; n represents 0 to 3; m represents 0 to 1; o represents 0 to 2; in the form of a free base or of an addition salt with an acid. 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.

  公式（I）表示的嘧啶酮衍生物或其盐，溶剂化合物或水合物：其中：Y代表两个氢原子、硫原子、氧原子或C1-2烷基基团和一个氢原子；Z代表键、氧原子、氮原子、硫原子、一个亚甲基基团，可选地由C1-6烷基基团、羟基、C1-6烷氧基、C1-2全卤代烷基或氨基中选择的一种或两种基团取代的亚甲基基团；R1代表2、3或4-吡啶环或2、4或5-嘧啶环；R2代表4-15成员的杂环基团，R3代表氢原子、C1-6烷基基团或卤原子；R4和R5分别代表氢原子、C1-6烷基基团，可选地取代1至4个取代基，所选取代基来自卤原子、苯基、羟基或C1-6烷氧基；R6代表氢原子、C1-6烷基基团；环烷基基团或卤原子；R7代表氢原子或C1-6烷基基团；n表示0到3；m表示0到1；o表示0到2；以自由碱或与酸的加成盐的形式存在。该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异常活性引起的神经退行性疾病，如阿尔茨海默病。