4-Chloro-3-ethyl-2-methylquinoline-6-carboxylic 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: 4-Chloro-3-ethyl-2-methylquinoline-6-carboxylic acid
• 化学式: C₁₃H₁₂ClNO₂
• 分子量: 249.697
• InChiKey: ZFXUIFLCUHCIMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-溴-2-糠酸 、 3-硝基苯硼酸 、 4-Chloro-3-ethyl-2-methylquinoline-6-carboxylic acid 、 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-chloro-N-[3-[5-[[1-[4-[3-(dimethylamino)propoxy]phenyl]-2-oxo-2-piperazin-1-ylethyl]carbamoyl]furan-2-yl]phenyl]-3-ethyl-2-methylquinoline-6-carboxamide
  参考文献：
  名称：

  Optimizing the antibacterial activity of a lead structure discovered by ‘SAR by MS’ technology

  摘要：

  We report on lead optimization of a compound that was originally discovered to bind bacterial 23S rRNA near the L11 binding site and inhibit translation in vitro, but lacked detectible antibacterial activity. In this study, we were able to generate compounds with antibacterial activity against Gram-negative and Gram-positive pathogens, including a methicillin-resistant S. aureus strain. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.033

文献信息

• LOW AFFINITY SCREENING METHOD
  申请人：Graffinity Pharmaceuticals Aktiengesellschaft

  公开号：EP1360489A1

  公开（公告）日：2003-11-12
• Low affinity screening method
  申请人：——

  公开号：US20040082079A1

  公开（公告）日：2004-04-29

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.
• [EN] LOW AFFINITY SCREENING METHOD<br/>[FR] PROCEDE DE CRIBLAGE DES FAIBLES AFFINITES
  申请人：GRAFFINITY PHARM DESIGN GMBH

  公开号：WO2002063299A1

  公开（公告）日：2002-08-15

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.