2-(5-氯噻吩-2-基)喹啉-4-羧酸 | 329222-93-7

• 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
• 中文名称: 2-(5-氯噻吩-2-基)喹啉-4-羧酸
• 中文别名: 喹啉-4-羧酸,2-(5-氯-2-噻吩)-
• 英文名称: 2-(5-Chloro-thiophen-2-yl)-quinoline-4-carboxylic acid
• 英文别名: 2-(5-Chlorothiophen-2-yl)quinoline-4-carboxylic acid
• CAS: 329222-93-7
• 化学式: C₁₄H₈ClNO₂S
• mdl: MFCD01114913
• 分子量: 289.742
• InChiKey: GNBCDNSGZAPUEF-UHFFFAOYSA-N

物化性质

• 沸点：
  475.6±45.0 °C(Predicted)
• 密度：
  1.478±0.06 g/cm3(Predicted)
• 溶解度：
  41.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  2-乙酰基-5-氯噻酚 、 靛红 、 苯乙酮 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 2-(5-氯噻吩-2-基)喹啉-4-羧酸
  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

• INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF
  申请人：Whitman Malcolm

  公开号：US20120058133A1

  公开（公告）日：2012-03-08

  The present invention provides novel methods for modulating Th 17-mediated immune responses using aminoacyl tRNA synthetase inhibitors. Inhibition of aminoacyl tRNA synthetase inhibitors activates an amino acid starvation response (AAR) and can produce beneficial therapeutic effects. In some embodiments, aminoacyl tRNA synthetase inhibitors are used to treat disorders such as autoimmune diseases, graft rejection, infections, fibrosis, and inflammatory diseases.
• 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.