5-[[1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxopyrimidin-5-yl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]-1-methylpyrimidin-4-one

• 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: 5-[[1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxopyrimidin-5-yl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]-1-methylpyrimidin-4-one
• 化学式: C₃₁H₃₂FN₅O₄S
• 分子量: 589.7
• InChiKey: DIOKBYQTXIQPGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS
  申请人：SmithKline Beecham plc

  公开号：EP1105377B1

  公开（公告）日：2003-10-08
• US6559155B1
  申请人：——

  公开号：US6559155B1

  公开（公告）日：2003-05-06
• [EN] PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS<br/>[FR] DERIVES DE PYRIMIDINONE DESTINES AU TRAITEMENT DE L'ATHEROSCLEROSE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000010980A1

  公开（公告）日：2000-03-02

  Pyrimidones of formula (I) are inhibitors of the enzyme LpPLA2 and thereof use in treating inter alia atherosclerosis. In formula (I), R1 is COOH or a salt thereof, COOR?10, CONR11R12¿, CN or CH¿2OH; R?2 is a mono- or bicyclic aromatic ring system or a mono- or bicyclic heteroaromatic ring system; R3 is C¿1-20?alkyl, C3-6cycloalkylC3-6cycloalkylC1-5alkyl, C1-10alkoxyC1-10alkyl, or an aromatic or heteroaromatic ring system; W is SO2 or a bond; X is O or S; and Y is a group of the formula A?1-A2-A3¿- in which A?1 and A3¿ each represent a bond or a straight chain or branched alkylene group, said alkylene group(s) containing a total of 1 to 10 carbon atoms and A2 represents a bond or O, S, SO, SO¿2?, CO, C=CH2, CONH, NHCO, CR?15R16¿, CH=CH or C C, providing that when A2 is O, S, SO, SO¿2? or CONH, A?3¿ contains at least two carbon atoms linking the A2 group and the CH¿2? group in formula (I).