3-{1-[({6-[(cyclopentylmethyl)(ethyl)amino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}methyl) {5-[2-(methylthio)ethoxy]pyrimidin-2-yl}amino]ethyl}-5-(trifluoromethyl)benzonitrile | 1057667-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-{1-[({6-[(cyclopentylmethyl)(ethyl)amino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}methyl) {5-[2-(methylthio)ethoxy]pyrimidin-2-yl}amino]ethyl}-5-(trifluoromethyl)benzonitrile
• 英文别名: 3-[1-[[6-[Cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]methyl-[5-(2-methylsulfanylethoxy)pyrimidin-2-yl]amino]ethyl]-5-(trifluoromethyl)benzonitrile
• CAS: 1057667-11-4
• 化学式: C₃₄H₄₁F₃N₈OS
• 分子量: 666.814
• InChiKey: ONDUNEZKYIUBPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  12

文献信息

• NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME
  申请人：OHGIYA Tadaaki

  公开号：US20090062306A1

  公开（公告）日：2009-03-05

  A compound represented by the following general formula (I), wherein R 1 , R 2 , R 3 , R 4 and R 5 represent hydrogen atom, a halogen atom, a lower alkyl group and the like, R 6 represents an alkyl group, a cycloalkyl group and the like, R 7 and R 8 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group and the like, R 9 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, R 10 and R 11 represent hydrogen atom, a lower alkyl group, a lower alkoxy group, a halo(lower alkyl) group and the like, and A represents a heterocyclic ring constituted by 6 to 10 atoms, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  通式（I）表示的化合物，其中R1、R2、R3、R4和R5表示氢原子、卤原子、低烷基基团等，R6表示烷基基团、环烷基基团等，R7和R8表示氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R9表示氢原子、卤原子、低烷氧基团等，R10和R11表示氢原子、低烷基基团、低烷氧基团、卤代（低烷基）基团等，A表示由6到10个原子构成的杂环环，对胆固醇酯转移蛋白（CETP）具有强大的抑制活性。
• NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME
  申请人：Kowa Company. Ltd.

  公开号：EP2138489A1

  公开（公告）日：2009-12-30

  A compound represented by the following general formula (I), wherein R1, R2, R3, R4 and R5 represent hydrogen atom, a halogen atom, a lower alkyl group and the like, R6 represents an alkyl group, a cycloalkyl group and the like, R7 and R8 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group and the like, R9 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, R10 and R11 represent hydrogen atom, a lower alkyl group, a lower alkoxy group, a halo(lower alkyl) group and the like, and A represents a heterocyclic ring constituted by 6 to 10 atoms, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  由以下通式（I）代表的化合物，其中 R1、R2、R3、R4 和 R5 代表氢原子、卤素原子、低级烷基等，R6 代表烷基、环烷基等，R7 和 R8 代表氢原子、低级烷基、（低级环烷基）（低级烷基）等、R9 代表氢原子、卤素原子、低级烷氧基等，R10 和 R11 代表氢原子、低级烷基、低级烷氧基、卤代（低级烷基）基团等，A 代表由 6 至 10 个原子构成的杂环，对胆固醇酯转移蛋白（CETP）具有强效抑制活性。
• US7790737B2
  申请人：——

  公开号：US7790737B2

  公开（公告）日：2010-09-07
• US8012989B2
  申请人：——

  公开号：US8012989B2

  公开（公告）日：2011-09-06