N-butyl-4-(difluoromethyl)-6-(4-methylsulfonylphenyl)pyrimidin-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-butyl-4-(difluoromethyl)-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
• 化学式: C₁₆H₁₉F₂N₃O₂S
• 分子量: 355.4
• InChiKey: QFSGOKQVQHVOHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Pyrimidine derivatives as selective inhibitors of cox-2
  申请人：Doughty Howard Richard

  公开号：US20050032823A1

  公开（公告）日：2005-02-10

  The invention thus provides the compounds of formula (I) and pharmaceutically acceptable salts thereof, in which: R 1 and R 2 are independently selected from the group consisting of H, C 1-6 alkyl, C 2-6 alkenyl, C 3-4 alkynyl, C 3-10 cycloalkylC 0-6 alkyl and C 4-12 bridged cycloalkyl; R 3 is selected from the group consisting of C 1-6 alkyl, NH 2 and R 5 CONH; R 4 is selected from the group consisting of CH 2 F, CHF 2 , CF 3 CH 2 , CF 3 CHF and CF 3 CF 2 ; and R 5 is selected from the group consisting of H, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylOC 1-6 alkyl, phenyl, HO 2 cc 1-6 ?alkyl, C 1-6 alkylOCOC 1-6 alkyl, C 1-4 alkylOCO, H 2 NC 1-6 alkyl, C 1-6 alkylOCONHC 1-6 alkyl and C 1-6 alkylCONHC 1-6 alkyl. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.

  因此，本发明提供了式 (I) 化合物及其药学上可接受的盐类，其中：R 1 和 R 2 独立选自由 H、C 1-6 烷基、C 2-6 烯基、C 3-4 炔基，C 3-10 环烷基C 0-6 烷基和 C 4-12 桥环烷基；R 3 选自由 C 1-6 烷基、NH 2 和 R 5 CONH； R 4 选自 CH 2 F、CHF 2 、CF 3 CH 2 CF 3 CHF 和 CF 3 CF 2 和 R 5 选自 H、C 1-6 烷基、C 1-6 烷氧基、C 1-6 烷基OC 1-6 烷基、苯基、HO 2 cc 1-6 烷基、C 1-6 烷基 OCOC 1-6 烷基，C 1-4 烷基OCO，H 2 NC 1-6 烷基，C 1-6 烷基 OCONHC 1-6 烷基和 C 1-6 烷基CONHC 1-6 烷基。式（I）化合物是 COX-2 的强效选择性抑制剂，可用于治疗各种病症和疾病的疼痛、发热和炎症。
• Pyrimidine derivatives as selective inhibitors of COX-2
  申请人：Doughty Jennifer

  公开号：US20050192306A1

  公开（公告）日：2005-09-01

  Methods of treating a subject suffering from a condition which is mediated by COX-2.

  治疗由 COX-2 介导的病症的方法。
• PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2
  申请人：GLAXO GROUP LIMITED

  公开号：EP1392311A1

  公开（公告）日：2004-03-03
• US7074802B2
  申请人：——

  公开号：US7074802B2

  公开（公告）日：2006-07-11
• [EN] PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2<br/>[FR] DERIVES DE PYRIMIDINE UTILISES COMME INHIBITEURS SELECTIFS DE COX-2
  申请人：GLAXO GROUP LTD

  公开号：WO2002096427A1

  公开（公告）日：2002-12-05

  The invention thus provides the compounds of formula (I) and pharmaceutically acceptable salts thereof, in which: R?1 and R2¿ are independently selected from the group consisting of H, C¿1-6?alkyl, C2-6alkenyl, C3-6alkynyl, C3-10cycloalkylC0-6alkyl and C4-12bridged cycloalkyl; R?3¿ is selected from the group consisting of C¿1-6?alkyl, NH2 and R?5CONH; R4¿ is selected from the group consisting of CH¿2?F, CHF2, CF3CH2, CF3CHF and CF3CF2; and R?5¿ is selected from the group consisting of H, C¿1-6?alkyl, C1-6alkoxy, C1-6alkylOC1-6alkyl, phenyl, HO 2CC1-6alkyl, C1-6alkylOCOC1-6alkyl, C1-6alkylOCO, H2NC1-6alkyl, C1-6alkylOCONHC1-6alkyl and C1-6alkylCONHC1-6alkyl. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.