N-[4-(6-bromo-2-methoxyquinolin-3-yl)-3-(2,4-difluorophenyl)-3-hydroxy-4-phenylbutyl]-N-ethylimidazole-1-carboxamide | 861709-52-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: N-[4-(6-bromo-2-methoxyquinolin-3-yl)-3-(2,4-difluorophenyl)-3-hydroxy-4-phenylbutyl]-N-ethylimidazole-1-carboxamide
• CAS: 861709-52-6
• 化学式: C₃₂H₂₉BrF₂N₄O₃
• 分子量: 635.508
• InChiKey: IHDDVGSRCMDQSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(6-Bromo-2-methoxyquinolin-3-yl)-2-(2,4-difluorophenyl)-4-(ethylamino)-1-phenylbutan-2-ol 、 N,N'-羰基二咪唑 以 四氢呋喃 为溶剂， 反应 2.0h， 以84%的产率得到N-[4-(6-bromo-2-methoxyquinolin-3-yl)-3-(2,4-difluorophenyl)-3-hydroxy-4-phenylbutyl]-N-ethylimidazole-1-carboxamide
  参考文献：
  名称：

  [EN] QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS
  [FR] DERIVES DE QUINOLEINE UTILISES COMME AGENTS ANTIBACTERIENS

  摘要：

  公开号：

  WO2007014934A3

文献信息

• Quinoline Derivatives as Antibacterial Agents
  申请人：Andries Koenraad Jozef Lodewijk Marcel

  公开号：US20080227775A1

  公开（公告）日：2008-09-18

  Use of a compound for the manufacture of a medicament for the treatment of a bacterial infection provided that the bacterial infection is other than a Mycobacterial infection, said compound being a compound of Formula (Ia) or (Ib) a pharmaceutically acceptable acid or base addition salt thereof, a quaternary amine thereof, a stereochemically isomeric form thereof, a tautomeric form thereof or a N-oxide form thereof, wherein R 1 is hydrogen, halo, haloalkyl, cyano, hydroxy, Ar, Het, alkyl, alkyloxy, alkylthio, alkyloxyalkyl, alkylthioalkyl, Ar-alkyl or di(Ar)alkyl; p is 1, 2, 3 or 4; R 2 is hydrogen, hydroxy, thio, alkyloxy, alkyloxyalkyloxy, alkylthio, mono or di(alkyl)amino or a radical of formula R 3 is alkyl, Ar, Ar-alkyl, Het or Het-alkyl; R 4 is hydrogen, alkyl or benzyl; R 5 is hydrogen, halo, haloalkyl, hydroxy, Ar, alkyl, alkyloxy, alkylthio, alkyloxyalkyl, alkylthioalkyl, Ar-alkyl or di(Ar)alkyl; or two vicinal R 5 radicals may be taken together to form together with the phenyl ring to which they are attached a naphthyl; r is 1, 2, 3, 4 or 5; R 6 is hydrogen, alkyl, Ar or Het; R 7 is hydrogen or alkyl; R 5 is oxo; or R 7 and R 5 together form the radical —CH═CH—N═; Z is CH 2 or C(═O).
• US8691800B2
  申请人：——

  公开号：US8691800B2

  公开（公告）日：2014-04-08