2-(4-bromo-phenyl)-6-iodo-quinoline-4-carboxylic acid | 342017-91-8

• 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-(4-bromo-phenyl)-6-iodo-quinoline-4-carboxylic acid
• 英文别名: 2-(4-Brom-phenyl)-6-jod-chinolin-4-carbonsaeure；2-(4-Bromophenyl)-6-iodo-quinoline-4-carboxylic acid；2-(4-bromophenyl)-6-iodoquinoline-4-carboxylic acid
• CAS: 342017-91-8
• 化学式: C₁₆H₉BrINO₂
• 分子量: 454.061
• InChiKey: CLZXCWTYHJAVPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  21
• 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：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-bromo-phenyl)-6-iodo-quinoline-4-carboxylic acid 、 丙烯酸 在 钯 作用下， 生成 2-(4-Bromo-phenyl)-6-((E)-2-carboxy-vinyl)-quinoline-4-carboxylic acid
  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
• 作为产物：
  描述：

  5-碘吲哚醌 、 4-溴苯乙酮 在 sodium hydroxide 作用下， 生成 2-(4-bromo-phenyl)-6-iodo-quinoline-4-carboxylic acid
  参考文献：
  名称：

  DE505160

  摘要：

  公开号：

文献信息

• New Library of Iodo-Quinoline Derivatives Obtained by an Alternative Synthetic Pathway and Their Antimicrobial Activity
  作者：Cristina Maria Al-Matarneh、Alina Nicolescu、Ioana Cristina Marinaş、Mădalina Diana Găboreanu、Sergiu Shova、Andrei Dascălu、Mihaela Silion、Mariana Pinteală

  DOI：10.3390/molecules29040772

  日期：——

  6-Iodo-substituted carboxy-quinolines were obtained using a one-pot, three-component method with trifluoroacetic acid as a catalyst under acidic conditions. Iodo-aniline, pyruvic acid and 22 phenyl-substituted aldehydes (we varied the type and number of radicals) or O-heterocycles, resulting in different electronic effects, were the starting components. This approach offers advantages such as rapid

  以三氟乙酸为催化剂，在酸性条件下，采用一锅三组分法得到6-碘代羧基喹啉。碘苯胺、丙酮酸和 22 个苯基取代的醛（我们改变了自由基的类型和数量）或 O-杂环，产生不同的电子效应，是起始成分。这种方法具有快速响应时间、经济高效的催化剂、高产品收率和高效纯化程序等优点。进行了全面的研究以检查醛结构对合成途径的影响。获得了化合物库，并通过 FT-IR、MS、1H NMR 和 13C NMR 光谱以及单射线晶体衍射法进行了表征。体外测试了它们对表皮葡萄球菌、肺炎克雷伯菌和近平滑念珠菌的抗菌活性。还研究了碘喹啉衍生物对微生物粘附（微生物生物膜发育的初始阶段）的影响。这项研究表明，带有碘原子的羧基喹啉衍生物是开发新型抗菌剂的有趣支架。
• 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.
• DE505160
  申请人：——

  公开号：——

  公开（公告）日：——