6'-(2-allyl-6-{[3-(1-methylpiperizin-4-yl)pheny]amino}-3-oxo-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2H-1,2'-bipyridin-2-one | 1147706-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 6'-(2-allyl-6-{[3-(1-methylpiperizin-4-yl)pheny]amino}-3-oxo-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2H-1,2'-bipyridin-2-one
• 英文别名: 6-[3-(1-Methylpiperidin-4-yl)anilino]-1-[6-(2-oxopyridin-1-yl)pyridin-2-yl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• CAS: 1147706-12-4
• 化学式: C₃₀H₃₀N₈O₂
• 分子量: 534.621
• InChiKey: KLFSYAHXEWDKSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  97.8
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE
  申请人：Furuyama Hidetomo

  公开号：US20100221211A1

  公开（公告）日：2010-09-02

  The invention relates to a compound of general formula (I-0): wherein R 1 means a C1-C6 alkyl group, a C2-C6 alkenyl group, a C2-C6 alkynyl group, or a C3-C6 cycloalkyl group; R 2 , R 3 , R 4 and R 5 mean a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halo-C1-C6 alkyl group, a C1-C6 alkoxy group, or a halo-C1-C6 alkoxy group; R 6 means a hydrogen atom, or a C1-C6 alkyl group; R 7a means a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halo-C1-C6 alkyl group, a C1-C6 alkoxy group, a hydroxy-C1-C6 alkyl group, -Q2-N(R 1c )R 1d or a nitrogen-containing heterocyclic group; R 8a means a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halo-C1-C6 alkyl group, a C1-C6 alkoxy group or a hydroxy-C1-C6 alkyl group; or R 7a and R 8a form, as taken together, a C2-C6 alkylene group, or R 7a and R 8a and the ring atoms to which they bond may form a spiro ring or a bicyclo ring; and X and Y mean a methine group or a nitrogen atom. The compound of the invention has, based on its excellent Wee1 kinase-inhibitory effect, a cell growth-inhibitory effect and an additive/synergistic effect with any other anticancer agent, and is therefore useful in the field of medicine.

  本发明涉及一种通式（I-0）的化合物：其中，R1表示C1-C6烷基、C2-C6烯基、C2-C6炔基或C3-C6环烷基；R2、R3、R4和R5表示氢原子、卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基或卤代C1-C6烷氧基；R6表示氢原子或C1-C6烷基；R7a表示氢原子、卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基、羟基-C1-C6烷基、-Q2-N（R1c）R1d或含氮杂环基；R8a表示氢原子、卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基或羟基-C1-C6烷基；或R7a和R8a共同形成C2-C6亚烷基基团，或R7a和R8a以及它们连接的环原子可以形成螺环或双环；X和Y表示亚甲基基团或氮原子。该化合物基于其优异的Wee1激酶抑制效果具有细胞生长抑制效果，并且与任何其他抗癌药物具有附加/协同作用，因此在医学领域中有用。
• US8329711B2
  申请人：——

  公开号：US8329711B2

  公开（公告）日：2012-12-11