4-isothiocyanatoquinoline

• 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-isothiocyanatoquinoline
• 英文别名: 4-quinolyl isothiocyanate
• 化学式: C₁₀H₆N₂S
• 分子量: 186.237
• InChiKey: DDYYJYKSPCYKAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-isothiocyanatoquinoline 在 mercury(II) oxide 作用下， 以 乙醇 、 苯 为溶剂， 反应 20.0h， 生成 N-(imidazolidin-2-ylidene)quinolin-4-amine
  参考文献：
  名称：

  [EN] N-(IMIDAZOLIDIN-2-YLIDENE)QUINOLINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS
  [FR] DÉRIVÉS N-(IMIDAZOLIDIN-2-YLIDÈNE)QUINOLÉINES EN TANT QUE MODULATEURS DES RÉCEPTEURS ALPHA-2 ADRÉNERGIQUES

  摘要：

  本发明涉及新颖的N-(咪唑啉-2-基)喹啉衍生物，其制备方法，含有它们的药物组合物以及它们作为药物的用途。公式（I）。

  公开号：

  WO2013016178A1
• 作为产物：
  描述：

  4-氯喹啉 、 silver thiocyanate 以 甲苯 为溶剂， 反应 12.0h， 以100%的产率得到4-isothiocyanatoquinoline
  参考文献：
  名称：

  合成4-喹啉基异硫氰酸酯的新途径

  摘要：

  由相应的4-氯喹啉和硫氰酸银在回流的甲苯中以区域特异性方式合成4-喹啉异硫氰酸酯。通过简单的过滤和浓缩，以定量收率和高纯度（> 95％）分离出产物。讨论了反应性和反应机理。该新方法将提供合成功能化的4-喹啉基异硫氰酸酯所缺乏的新方法。

  DOI：

  10.1016/j.tetlet.2006.01.119

文献信息

• [EN] 2'-O,3'-N-BRIDGED MACROLIDES<br/>[FR] MACROLIDES 2'-O,3'-N-PONTÉS
  申请人：GLAXOSMITHKLINE ZAGREB

  公开号：WO2009130189A1

  公开（公告）日：2009-10-29

  Novel 2 ' -O, 3 ' -/V-bridged macrolides useful in treatment of inflammatory diseases. More particularly, the invention relates to 2 ' -O, 3 ' -/V-bridged 14- membered macrolides and to 2 ' - O, 3 ' -/V-bridged 15-membered azalide macrolides useful in treatment of neutrophil dominated inflammatory diseases resulting from neutrophilic infiltration and/or diseases associated with altered cellular functionality of neutrophils, to intermediates for their preparation, to the methods for their preparation, to their use as therapeutic agents, and to salts thereof.

  ' -O, 3 ' -/V-bridged macrolides useful in treatment of inflammatory diseases. More particularly, the invention relates to 2 ' -O, 3 ' -/V-bridged 14- membered macrolides and to 2 ' - O, 3 ' -/V-bridged 15-membered azalide macrolides useful in treatment of neutrophil dominated inflammatory diseases resulting from neutrophilic infiltration and/or diseases associated with altered cellular functionality of neutrophils, to intermediates for their preparation, to the methods for their preparation, to their use as therapeutic agents, and to salts thereof.
• NOVEL BICYCLIC THIAZOLE COMPOUNDS
  申请人：Sawa Masaaki

  公开号：US20130317218A1

  公开（公告）日：2013-11-28

  The present invention relates to novel bicyclic thiazole compounds that inhibit Traf2- and Nck-interacting kinase (TNIK), and as such are useful as TNIK inhibitors administered to cancer patients, especially to solid cancer patients such as colorectal cancer, pancreatic cancer, non-small cell lung cancer, prostate cancer or breast cancer. The bicyclic thiazole compounds are showed by a next formula (I). (wherein R 1 , R 2 , R 3 and Q are as defined in the specification), or a pharmaceutically acceptable salt thereof.

  本发明涉及一种新型的双环噻唑化合物，可以抑制Traf2和Nck相互作用激酶(TNIK)，因此可作为TNIK抑制剂用于治疗癌症患者，特别是固体癌症患者，如结肠癌、胰腺癌、非小细胞肺癌、前列腺癌或乳腺癌。这些双环噻唑化合物由下式(I)表示（其中R1、R2、R3和Q如规范中所定义），或其药学上可接受的盐。
• Method for analyzing n-terminal protein adducts
  申请人：Rydberg Per

  公开号：US20070190659A1

  公开（公告）日：2007-08-16

  Method for analyzing adducts in a fluid and/or a solid material suspected of containing the adducts by bringing the material in contact with an isothiocyanate reagent containing a fluorescent. The reagent do not have the isothiocyanate group directly bound to an unsubstituted phenyl or pentafluorophenyl group. A method for manufacturing a standard material for use in the analyzing method, a standard material obtainable by this manufacturing method. Compounds suitable for use as standard material and use of the standard material, and a container for analyzing the adducts are also disclosed. A method for analyzing hazardous substances, a kit including standard material or a compound set out above, an apparatus for performing the analyzing method, and a computer program stored on a data carrier for performing the analyzing method or the manufacturing method are also disclosed.

  一种分析液体和/或固体材料中可能含有的加合物的方法，通过将材料与含有荧光物的异硫氰酸酯试剂接触。该试剂不直接与未取代的苯基或五氟苯基结合的异硫氰酸酯基团。还公开了一种用于分析方法的标准材料制造方法，可获得此制造方法得到的标准材料。还公开了适用于作为标准材料的化合物以及标准材料的使用和用于分析加合物的容器。还公开了一种分析危险物质的方法，包括上述标准材料或化合物集的试剂盒，用于执行分析方法的设备以及存储在数据载体上的用于执行分析方法或制造方法的计算机程序。
• Bicyclic thiazole compounds
  申请人：CARNA BIOSCIENCES INC.

  公开号：US09102637B2

  公开（公告）日：2015-08-11

  The present invention relates to novel bicyclic thiazole compounds that inhibit Traf2- and Nck-interacting kinase (TNIK), and as such are useful as TNIK inhibitors administered to cancer patients, especially to solid cancer patients such as colorectal cancer, pancreatic cancer, non-small cell lung cancer, prostate cancer or breast cancer. The bicyclic thiazole compounds are showed by a next formula (I). (wherein R1, R2, R3 and Q are as defined in the specification), or a pharmaceutically acceptable salt thereof.

  本发明涉及新型双环噻唑化合物，其抑制Traf2和Nck相互作用激酶（TNIK），因此可作为TNIK抑制剂用于治疗癌症患者，尤其是实体癌症患者，如结肠癌、胰腺癌、非小细胞肺癌、前列腺癌或乳腺癌。双环噻唑化合物由下式（I）表示（其中R1、R2、R3和Q如规范中所定义），或其药学上可接受的盐。
• <i>N</i>′-Substituted-2′-<i>O</i>,3′-<i>N</i>-carbonimidoyl Bridged Macrolides: Novel Anti-inflammatory Macrolides without Antimicrobial Activity
  作者：Martina Bosnar、Goran Kragol、Sanja Koštrun、Ines Vujasinović、Berislav Bošnjak、Vlatka Bencetić Mihaljević、Zorica Marušić Ištuk、Samra Kapić、Boška Hrvačić、Karmen Brajša、Branka Tavčar、Dubravko Jelić、Ines Glojnarić、Donatella Verbanac、Ognjen Čulić、Jasna Padovan、Sulejman Alihodžić、Vesna Eraković Haber、Radan Spaventi

  DOI：10.1021/jm300356u

  日期：2012.7.12

  Macrolide antibiotics, like erythromycin, clarithromycin, and azithromycin, possess anti-inflammatory properties. These properties are considered fundamental to the efficacy of these three macrolides in the treatment of chronic inflammatory diseases like diffuse panbronchiolitis and cystic fibrosis. However, long-term treatment with macrolide antibiotics presents a considerable risk for promotion of bacterial resistance. We have examined antibacterial and anti-inflammatory effects of a novel macrolide class: N'-substituted 2'-O,3'-N-carbonimidoyl bridged erythromycin-derived 14- and 15-membered macrolides. A small focused library was prepared, and compounds without antimicrobial activity, which inhibited IL-6 production, were selected. Data analysis led to a statistical model that could be used for the design of novel anti-inflammatory macrolides. The most promising compound from this library retained the anti-inflammatory activity observed with azithromycin in lipopolysaccharide-induced pulmonary neutrophilia in vivo. Importantly, this study strongly suggests that antimicrobial and anti-inflammatory activities of macrolides are independent and can be separated, which raises development plausibility of novel anti-inflammatory therapeutics.