(E)-3-(1,3-benzodioxol-4-yl)-N-(6,8-difluoroquinolin-4-yl)prop-2-enamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(1,3-benzodioxol-4-yl)-N-(6,8-difluoroquinolin-4-yl)prop-2-enamide
• 化学式: C₁₉H₁₂F₂N₂O₃
• 分子量: 354.3
• InChiKey: XWGOMGRAAYZHQY-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] CINNAMIDE DERIVATIVES AS OREXIN-1 RECEPTORS ANTAGONISTS<br/>[FR] DERIVES DE CINNAMIDE UTILISES EN TANT QU'ANTAGONISTES DES RECEPTEURS DE L'OREXINE-1
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000047576A1

  公开（公告）日：2000-08-17

  A compound of formula (I): in which X and Y are CH, or one of X and Y is N and the other is CH; R1 represents (C¿1-6?)alkyl, (C2-6)alkenyl or (C1-6)alkoxy, any of which may be optionally substituted; halogen, R?8¿CO- or NR?9R10CO-; R2, R3, R4, R5 and R6¿ independently represent(C¿1-6?)alkyl, (C2-6)alkenyl, (C1-6)alkoxy or (C1-6)alkylthio, any of which may be optionally substituted; hydrogen, halogen, nitro, cyano, aryloxy, aryl(C1-6)alkyloxy, aryl(C1-6)alkyl, R?8CO-, R8SO¿2NH-, R8SO2O-, R?8CON(R11)-, NR9R10-, NR9R10¿CO-, -COOR?9, R11C(=NOR8¿), heterocyclyl or heterocyclyl (C¿1-6?)alkyl; or an adjacent pair of R?2, R3, R4, R5 and R6¿ together with the carbon atoms to which they are attached from an optionally substituted carbocyclic or heterocyclic ring; R7 is hydrogen, (C¿1-6?)alkyl (C1-6)alkenyl, (C1-6)alkoxy or (C1-6)alkylthio, any of which may be optionally substituted; halogen, hydroxy, nitro, cyano; NR?9R10-, NR9R10CO- N¿3, -OCOR?9 or R8CON(R11)-; R8¿ is (C¿1-6?)alkyl, (C2-6)alkenyl, heterocyclyl, heterocyclyl (C1-6)alkyl, aryl or aryl(C1-6)alkyl, any of which may be optionally substituted; R?9 and R10¿ independently represent hydrogen, (C¿1-6?)alkyl, (C2-6)alkenyl, heterocyclyl, heterocyclyl(C1-6)alkyl, aryl or aryl(C1-6)alkyl, any of which may be optionally substituted; R?11¿ is hydrogen or (C¿1-6?)alkyl, and when X and Y are both CH, n is 0, 1, 2, 3 or 4, and when X or Y is N, n is 0, 1, 2 or 3; or a pharmaceutically acceptable salt thereof. The use of a compound of formula (I) as defined above, or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for the treatment or prophylaxis of diseases or disorders where an antogonist of a human orexin receptor is required.