7-[3-(ethylamino)methyl-1-pyrrolidinyl]-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid | 125290-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-[3-(ethylamino)methyl-1-pyrrolidinyl]-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
• 英文别名: 1-(2,4-Difluorophenyl)-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
• CAS: 125290-63-3
• 化学式: C₂₄H₂₄F₃N₃O₃
• 分子量: 459.468
• InChiKey: WUHZZIORFGVDDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl 6,7-difluoro-1-(2,4-difluorophenyl)-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylate 生成 7-[3-(ethylamino)methyl-1-pyrrolidinyl]-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
  参考文献：
  名称：

  DOMAGALA, JOHN M.;HAGEN, SUSAN E.;KIELY, JOHN S.

  摘要：

  DOI：

文献信息

• Antibacterial agents
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0326891A2

  公开（公告）日：1989-08-09

  Novel naphthyridine-, and quinolinecarboxylic acids as antibacterial agents are described as well as methods for their manufacture, formulation, and use in treating bacterial infections including the description of certain novel intermediates used in the manufacture of the antibacterial agents.

  介绍了作为抗菌剂的新型萘啶酸和喹啉羧酸及其制造、配制和用于治疗细菌感染的方法，包括用于制造抗菌剂的某些新型中间体。
• Synthesis and biological activity of 5-alkyl-1,7,8-trisubstituted-6-fluoroquinoline-3-carboxylic acids
  作者：Susan E. Hagen、John M. Domagala、Carl L. Heifetz、Judith Johnson

  DOI：10.1021/jm00107a040

  日期：1991.3

  A series of 5-alkyl-1,7,8-trisubstituted-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids was prepared and evaluated for in vitro and in vivo antibacterial activity. When compared to the 5-hydrogen analogues, the presence of the 5-methyl group enhanced in vitro potency for those compounds containing a cyclopropyl moiety at N1 but decreased potency for those containing an ethyl group at N1. Replacing the 5-methyl with a 5-ethyl significantly reduced the efficacy. In general, the 5-methyl and 5-hydrogen analogues were equipotent in vivo. Several of the 5-methyl-1-cyclopropylquinolones displayed excellent in vitro and in vivo activity, warranting further development.
• HAGEN, SUSAN E.;DOMAGALA, JOHN M.;HEIFETZ, CARL L.;JOHNSON, JUDITH, J. MED. CHEM., 34,(1991) N, C. 1155-1161
  作者：HAGEN, SUSAN E.、DOMAGALA, JOHN M.、HEIFETZ, CARL L.、JOHNSON, JUDITH

  DOI：——

  日期：——
• ANTIBACTERIAL AGENTS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0398967A1

  公开（公告）日：1990-11-28
• US4920120A
  申请人：——

  公开号：US4920120A

  公开（公告）日：1990-04-24