2-[N-benzyl-N-[3-(N-cyclopentylmethyl-N-ethyl)amino-6-methoxypyridin-2-yl]methyl]amino-5-(2-methylthioethoxy)pyrimidine | 1006599-01-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-[N-benzyl-N-[3-(N-cyclopentylmethyl-N-ethyl)amino-6-methoxypyridin-2-yl]methyl]amino-5-(2-methylthioethoxy)pyrimidine
• 英文别名: N-benzyl-N-[[3-[cyclopentylmethyl(ethyl)amino]-6-methoxypyridin-2-yl]methyl]-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
• CAS: 1006599-01-4
• 化学式: C₂₉H₃₉N₅O₂S
• 分子量: 521.727
• InChiKey: BJHDASUNPCZASH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same
  申请人：OHGIYA Tadaaki

  公开号：US20090054474A1

  公开（公告）日：2009-02-26

  A compound represented by the following general formula (I) or a salt thereof, or a solvate thereof: (wherein R 1 , R 2 , R 3 , R 4 and R 5 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R 6 , R 7 and R 8 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R 9 and R 10 are the same or different, and represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group etc., and R 11 represents hydrogen atom, a halogen atom, a lower alkoxy group, a (lower alkyl)thio(lower alkoxy) group, a (lower alkyl)sulfinyl(lower alkoxy) group, a (lower alkyl)sulfonyl(lower alkoxy) group etc.), which has potent inhibitory activity on CETP.

  由以下一般式（I）表示的化合物或其盐，或其溶剂合物：（其中R1、R2、R3、R4和R5相同或不同，代表氢原子、卤原子、较低烷基等，R6、R7和R8相同或不同，代表氢原子、卤原子、较低烷基等，R9和R10相同或不同，代表氢原子、较低烷基、（较低环烷基）（较低烷基）等，R11代表氢原子、卤原子、较低烷氧基、（较低烷基）硫（较低烷氧基）基、（较低烷基）亚硫基（较低烷氧基）基、（较低烷基）砜基（较低烷氧基）基等），对CETP具有强大的抑制活性。
• NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(PYRIDYLMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL COMPRISING THE COMPOUND
  申请人：Kowa Company. Ltd.

  公开号：EP2055703A1

  公开（公告）日：2009-05-06

  A compound represented by the following general formula (I) or a salt thereof, or a solvate thereof (wherein R1, R2, R3, R4 and R5 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R6, R7 and R8 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R9 and R10 are the same or different, and represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group etc., and R11 represents hydrogen atom, a halogen atom, a lower alkoxy group, a (lower alkyl)thio(lower alkoxy) group, a (lower alkyl)sulfinyl(lower alkoxy) group, a (lower alkyl)sulfonyl(lower alkoxy) group etc.), which has potent inhibitory activity on CETP.

  由以下通式（I）代表的化合物或其盐或其溶液 (其中 R1、R2、R3、R4 和 R5 相同或不同，代表氢原子、卤素原子、低级烷基等；R6、R7 和 R8 相同或不同，代表氢原子、卤素原子、低级烷基等；R9 和 R10 相同或不同，代表氢原子、低级烷基、（低级环烷基）（低级烷基）基团等、以及 R11 代表氢原子、卤素原子、低级烷氧基、（低级烷基）硫（低级烷氧基）基团、（低级烷基）亚磺酰（低级烷氧基）基团、（低级烷基）磺酰（低级烷氧基）基团等），对 CETP 具有强效抑制活性。
• US7750019B2
  申请人：——

  公开号：US7750019B2

  公开（公告）日：2010-07-06