2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethylazanium;2,2,2-trifluoroacetate

• 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: 2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethylazanium;2,2,2-trifluoroacetate
• 化学式: C₂HF₃O₂*C₂₀H₁₇BrN₄O
• 分子量: 523.309
• InChiKey: BYLRGJAOHSBJHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  121
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-溴吲哚 、 喹啉-4-羧酸 、 三氟乙酸 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethylazanium;2,2,2-trifluoroacetate
  参考文献：
  名称：

  Potent In vitro methicillin-resistant Staphylococcus aureus activity of 2-(1H-indol-3-yl)quinoline derivatives

  摘要：

  A novel structural class of antibacterials, 2-(1H-indol-3-yl)quinolines, effective against methicillin-resistant Staphylococcus aureus (MRSA), was discovered from a combinatorial library. A structure-activity relationship (SAR) study was conducted to determine the pharmacophore and increase the potency of these compounds. Compounds were prepared that had minimum inhibitory concentrations (MICs) < 1.0 g/mL against MRSA and retained activity against two strains of glycopeptide intermediate-resistant S. aureus (GISA). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00542-4

文献信息

• Potent In vitro methicillin-resistant Staphylococcus aureus activity of 2-(1H-indol-3-yl)quinoline derivatives
  作者：Michael Z. Hoemann、G. Kumaravel、Roger L. Xie、Richard F. Rossi、Sylvia Meyer、Alban Sidhu、Gregory D. Cuny、James R. Hauske

  DOI：10.1016/s0960-894x(00)00542-4

  日期：2000.12

  A novel structural class of antibacterials, 2-(1H-indol-3-yl)quinolines, effective against methicillin-resistant Staphylococcus aureus (MRSA), was discovered from a combinatorial library. A structure-activity relationship (SAR) study was conducted to determine the pharmacophore and increase the potency of these compounds. Compounds were prepared that had minimum inhibitory concentrations (MICs) < 1.0 g/mL against MRSA and retained activity against two strains of glycopeptide intermediate-resistant S. aureus (GISA). (C) 2000 Elsevier Science Ltd. All rights reserved.