7-{4-[(1,3-Benzodioxol-5-ylamino)carbothioyl]piperazino}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

• 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-{4-[(1,3-Benzodioxol-5-ylamino)carbothioyl]piperazino}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
• 英文别名: 7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• 化学式: C₂₄H₂₃FN₄O₅S
• 分子量: 498.5
• InChiKey: CEHCYCHNPNBEBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• ANTIBIOTIC COMPOUNDS
  申请人：NorthEastern University

  公开号：EP2167074A2

  公开（公告）日：2010-03-31
• ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF
  申请人：Fred Hutchinson Cancer Research Center

  公开号：US20150126519A1

  公开（公告）日：2015-05-07

  Disclosed herein are compounds and methods for inhibiting bacterial DNA repair enzymes, including AddAB and RecBCD helicase-nucleases. Pharmaceutical compositions and methods for treating a subject with an antibacterial agent are also disclosed herein.
• [EN] ANTIBIOTIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIBIOTIQUES
  申请人：UNIV NORTHEASTERN

  公开号：WO2008156610A2

  公开（公告）日：2008-12-24

  [EN] Methods for identifying prodrug antibiotic compounds and direct inhibitory antibiotic compounds utilizing various screens are provided. Also provided are methods for treating infections using these compounds.
  [FR] La présente invention concerne des procédés permettant d'identifier des composés antibiotiques sous forme de promédicament et des composés antibiotiques directement inhibiteurs en utilisant divers cribles. L'invention concerne également des procédés permettant de traiter des infections au moyen de ces composés.