2-[3-[(3-bromo-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-3H-quinazolin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-[3-[(3-bromo-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-3H-quinazolin-4-one
• 化学式: C₂₁H₂₂BrN₅O₂
• 分子量: 456.3
• InChiKey: LMEWYGRUUACRRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  90.5
• 氢给体数：
  4
• 氢受体数：
  3

文献信息

• [EN] 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS<br/>[FR] 2-NH-PYRIDONES ET PYRIMIDONES UTILISEES COMME INHIBITEURS DE MRS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000071524A1

  公开（公告）日：2000-11-30

  Compounds of formula (I) in which: W is CH and R1 is the residue of a 5 or 6-membered heteroaryl ring, or W is N and R1 is the residue of an 5 or 6-membered heteroaryl ring or an aryl ring, which heteroaryl or aryl ring is optionally substituted with from 1 to 3 substituents selected from halo, cyano, hydroxy, (C¿1-6?)alkyl(optionally substituted by halo, hydroxy, amino, mono to perfluoro(C1-3)alkyl, carboxy or (C1-6)alkoxycarbonyl), (C3-7)cycloalkyl, C(1-6)alkoxy, amino, mono- or di-(C1-6)alkylamino, acylamino, carboxy, (C1-6)alkoxycarbonyl, carboxy(C1-6)alkyloxy, (C1-6)alkylthio, (C1-6)alkylsulphinyl, (C1-6)alkylsulphonyl, sulphamoyl, mono- and di-(C1-6)alkylsulphamoyl, carbamoyl, mono- and di-(C1-6)alkylcarbamoyl, and heterocyclyl; R?2¿ is an optionally substituted aryl or an optionally substituted heteroaryl ring; X is CH¿2? or CHR?3¿ in which R3 is C(¿1-6?)akyl or R?3¿ may be linked to the ortho position of an aryl or heteroaryl ring of R2 to form a 5 to 7 membered ring optionally including oxygen or nitrogen as a ring atom; Y is C(¿1-3?)alkylene or C(4-6)cycloalkylene; including tautomeric forms of the pyrimidone ring (when W is N); and salts thereof, preferably pharmaceutically acceptable salts thereof, are inhibitors of the bacterial enzyme S aureus methionyl t-RNA synthetase (MRS) and are of use in treating bacterial infections.