(4-Phenylphenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methyl-quinoline-4-carboxylate

• 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-Phenylphenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methyl-quinoline-4-carboxylate
• 英文别名: (4-phenylphenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate
• 化学式: C₃₀H₂₁BrClNO₂
• 分子量: 542.859
• InChiKey: NJLFIHLPSYNLGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-氯-7-甲基靛红 在 氢氧化钾 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 (4-Phenylphenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methyl-quinoline-4-carboxylate
  参考文献：
  名称：

  A series of quinoline analogues as potent inhibitors of C. albicans prolyl tRNA synthetase

  摘要：

  A series of quinoline inhibitors of C. albicans prolyl tRNA synthetase was identified. The most potent analogue, 2-(4-bromo-phenyl)-6-chloro-8-methyl-4-quinolinecarboxylic acid, showed IC50 = 5 nM (Ca. ProRS) with high selectivity over the human enzyme. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00697-1

文献信息

• A series of quinoline analogues as potent inhibitors of C. albicans prolyl tRNA synthetase
  作者：Xiang Y. Yu、Jason M. Hill、Guixue Yu、Yifeng Yang、Arthur F. Kluge、Dennis Keith、John Finn、Paul Gallant、Jared Silverman、Audrey Lim

  DOI：10.1016/s0960-894x(00)00697-1

  日期：2001.2

  A series of quinoline inhibitors of C. albicans prolyl tRNA synthetase was identified. The most potent analogue, 2-(4-bromo-phenyl)-6-chloro-8-methyl-4-quinolinecarboxylic acid, showed IC50 = 5 nM (Ca. ProRS) with high selectivity over the human enzyme. (C) 2001 Elsevier Science Ltd. All rights reserved.