(+/-)-10-Cyclopropyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one | 1202692-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: (+/-)-10-Cyclopropyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
• 英文别名: (+/-)-10-Cyclopropyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-alpha]azepin-4-one；10-cyclopropyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
• CAS: 1202692-45-2
• 化学式: C₁₆H₁₈N₄O
• 分子量: 282.345
• InChiKey: PXEYJPMMIQGRIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (+/-)-10-bromo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one 、 环丙基溴化镁 在 copper(I) bromide dimethylsulfide complex 作用下， 以 四氢呋喃 为溶剂， 以33%的产率得到(+/-)-10-Cyclopropyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
  参考文献：
  名称：

  Substituted alkyl pyrimidin-4-one derivatives

  摘要：

  本发明涉及一种由式（I）表示的吡啶酮衍生物或其盐、溶剂或水合物：其中：X代表亚甲基、NH、氮原子，其上取代有C（O）-O-（C1-6-烷基）基团；R1代表2、3或4-吡啶环或2、4或5-嘧啶环，该环可选地取代有C1-6烷基、C1-6烷氧基或卤素原子；R2代表氢原子、C1-6烷基或卤素原子；R3代表可选的C1-6烷基取代基；R4代表氢原子、卤素原子、羟基、C1-6烷基；m当X为亚甲基时为1-2，当X为NH、氮原子上取代有C（O）-O-（C1-6-烷基）基团时为2；以自由碱或与酸的加成盐的形式使用于治疗。

  公开号：

  EP2138494A1

文献信息

• SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES
  申请人：FAYOL Aude

  公开号：US20110144092A1

  公开（公告）日：2011-06-16

  A pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof: wherein X, R1, R2, R3, R4, and m are defined in the disclosure. Also disclosed are methods of preparing the compounds of formula (I), intermediates thereof and their use in therapeutics.

  一种由式（I）表示的吡啶酮衍生物或其盐、溶剂或水合物：其中X，R1，R2，R3，R4和m在本文中有定义。还公开了制备式（I）化合物的方法，其中间体及其在治疗中的用途。
• [EN] SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES<br/>[FR] DÉRIVÉS PYRIMIDIN-4-ONE À SUBSTITUTION ALKYLE
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2009156864A2

  公开（公告）日：2009-12-30

  A pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof (I), wherein, X represents a methylene, NH, a nitrogen atom substituted by a C(O)-O- (C1-6-alkyl) group; R1 represents a 2, 3 or 4-pyridine ring or a 2, 4 or 5-pyrimidine ring, the ring being optionally substituted by a C1-6 alkyl group, a C1-6 alkoxy group or a halogen atom; R2 represents a hydrogen atom, a C1-6 alkyl group or a halogen atom; R3 represents a C1-6 alkyl group optionally substituted, R4 represents a hydrogen atom, a halogen atom, a hydroxyl group, a C1-6 alkyl group; m represents 1 to 2 when X is a methylene or m represents 2 when X is NH, a nitrogen atom substituted by a C(O)-O-(C1-6-alkyl) group; in the form of a free base or of an addition salt with an acid. Use in therapeutic
• Substituted alkyl pyrimidin-4-one derivatives
  申请人：Sanofi-Aventis

  公开号：EP2138494A1

  公开（公告）日：2009-12-30

  A pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof: wherein : X represents a methylene, NH, a nitrogen atom substituted by a C(O)-O-(C1-6-alkyl) group; R1 represents a 2, 3 or 4-pyridine ring or a 2, 4 or 5-pyrimidine ring, the ring being optionally substituted by a C1-6 alkyl group, a C1-6 alkoxy group or a halogen atom; R2 represents a hydrogen atom, a C1-6 alkyl group or a halogen atom; R3 represents a C1-6 alkyl group optionally substituted, R4 represents a hydrogen atom, a halogen atom, a hydroxyl group, a C1-6 alkyl group; m represents 1 to 2 when X is a methylene or m represents2 when X is NH, a nitrogen atom substituted by a C(O)-O-(C1-6-alkyl) group ; in the form of a free base or of an addition salt with an acid. Use in therapeutic

  本发明涉及一种由式（I）表示的吡啶酮衍生物或其盐、溶剂或水合物：其中：X代表亚甲基、NH、氮原子，其上取代有C（O）-O-（C1-6-烷基）基团；R1代表2、3或4-吡啶环或2、4或5-嘧啶环，该环可选地取代有C1-6烷基、C1-6烷氧基或卤素原子；R2代表氢原子、C1-6烷基或卤素原子；R3代表可选的C1-6烷基取代基；R4代表氢原子、卤素原子、羟基、C1-6烷基；m当X为亚甲基时为1-2，当X为NH、氮原子上取代有C（O）-O-（C1-6-烷基）基团时为2；以自由碱或与酸的加成盐的形式使用于治疗。