2-[5-(benzisoxazole-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one | 712343-98-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-[5-(benzisoxazole-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
• 英文别名: 2-[5-(1,2-benzoxazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
• CAS: 712343-98-1
• 化学式: C₂₁H₁₈N₆O₂
• 分子量: 386.413
• InChiKey: ILEHHNNEZPDEML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES<br/>[FR] DERIVES 4-PYRIMIDONES SUBSTITUES EN 3
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2004055007A1

  公开（公告）日：2004-07-01

  A pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof useful as a tau protein kinase 1 inhibitor:wherein X represents CH or nitrogen atom; R1 represents a C?1#191-C?12#191 alkyl group which may be substituted;R2 represents a C?1#191-C?8#191 alkyl group which may be substituted, a benzene ring which may be substituted, a naphthalene ring which may be substituted, an indan ring which may be substituted, a tetrahydronaphthalene ring which may be substituted, or an optionally substituted heterocyclic ring having 1 to 4 hetero atoms selected from the group consisting of oxygen atom, sulfur atom, and nitrogen atom, and having 5 to 10 ring-constituting atoms in total.

  由以下公式（I）表示的嘧啶酮衍生物或其盐，或其溶剂合物或水合物，可用作tau蛋白激酶1抑制剂：其中X代表CH或氮原子；R1代表一个C?1#191-C?12#191烷基基团，可以被取代；R2代表一个C?1#191-C?8#191烷基基团，可以被取代，一个可以被取代的苯环，一个可以被取代的萘环，一个可以被取代的茚环，一个可以被取代的四氢萘环，或一个可选择地取代的杂环，其中有1到4个异原子，选择自氧原子、硫原子和氮原子，并且总共有5到10个组成环的原子。
• 3-Substituted-4-pyrimidone derivatives
  申请人：Usui Yoshihiro

  公开号：US20070142409A1

  公开（公告）日：2007-06-21

  A pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof useful as a tau protein kinase 1 inhibitor:wherein X represents CH or nitrogen atom; R 1 represents a C?1#191-C?12#191 alkyl group which may be substituted; R 2 represents a C?1#191-C?8#191 alkyl group which may be substituted, a benzene ring which may be substituted, a naphthalene ring which may be substituted, an indan ring which may be substituted, a tetrahydronaphthalene ring which may be substituted, or an optionally substituted heterocyclic ring having 1 to 4 hetero atoms selected from the group consisting of oxygen atom, sulfur atom, and nitrogen atom, and having 5 to 10 ring-constituting atoms in total.

  一种由公式(I)表示的吡啶酮衍生物或其盐，或其溶剂化物或其水合物，用作tau蛋白激酶1抑制剂：其中X代表CH或氮原子；R1代表C?1#191-C?12#191烷基，可以被取代；R2代表C?1#191-C?8#191烷基，可以被取代，苯环，可以被取代的萘环，可以被取代的茚环，可以被取代的四氢萘环，或者是选自氧原子，硫原子和氮原子的1-4个杂原子，总共有5-10个构成环的原子的可选取代杂环。
• 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1572681A1

  公开（公告）日：2005-09-14
• US7683069B2
  申请人：——

  公开号：US7683069B2

  公开（公告）日：2010-03-23