2-(4-cyanophenyl)-4-[1-(dimethylamino)butyl]-3-[1,4-dimethyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-3H-pyrazole-4-carboxylic acid

• 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: 2-(4-cyanophenyl)-4-[1-(dimethylamino)butyl]-3-[1,4-dimethyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-3H-pyrazole-4-carboxylic acid
• 化学式: C₃₀H₃₁F₃N₆O₄
• 分子量: 596.6
• InChiKey: MSTMTRIFIBUGHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP2740728A1

  公开（公告）日：2014-06-11

  The present invention provides: an uracil derivative represented by general formula (I) or a physiologically acceptable salt thereof (in the formula, R1 represents a hydrogen atom, a C1-10 alkyl group, a C2-6 alkene group or a 3- to 6-membered saturated or 4- to 6-membered unsaturated aliphatic ring group which may contain 1 to 2 hetero atoms independently selected from the group consisting of N, O and S; R2 represents a hydrogen atom, a halogen atom, a cyano group, -NRcRd, -N=CHN(CH3)2, or an C1-3 alkyl group: Ar1 and Ar2 independently represent a 5- to 6-membered aromatic ring group which may contain 1 to 3 hetero atoms independently selected from the group consisting of N, O and S; and L represents a 6-membered aromatic ring group which may contain 1 to 4 nitrogen atoms, a pyrazole group, a triazole group, or an imidazole group); and a therapeutic agent or prophylactic agent for various inflammatory diseases associated with elastase, comprises the compound or the like as an active ingredient.

  本发明提供了一种由通式(I)代表的尿嘧啶衍生物或其生理学上可接受的盐(在式中，R1代表氢原子、C1-10烷基、C2-6烯基或3～6元饱和或4～6元不饱和脂肪环基，其可含有1～2个独立地选自N、O和S组成的组的杂原子；R2代表氢原子、卤素原子、氰基、-NRcRd、-N＝CHN(CH3)2或C1-3烷基：Ar1 和 Ar2 独立地代表 5 至 6 元芳香环基，其中可含有 1 至 3 个独立地选自 N、O 和 S 组成的杂原子；L 代表 6 元芳香环基，其中可含有 1 至 4 个氮原子、吡唑基、三唑基或咪唑基）；与弹性蛋白酶相关的各种炎症疾病的治疗剂或预防剂包括该化合物或类似物作为活性成分。