2-庚基-3-羟基-4-喹啉酮 | 108985-27-9

• 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-庚基-3-羟基-4-喹啉酮
• 中文别名: 2-庚基-3-羟基-4(1H)-喹啉酮
• 英文名称: 2-heptyl-3-hydroxy-3H-quinolin-4-one
• CAS: 108985-27-9
• 化学式: C₁₆H₂₁NO₂
• 分子量: 259.34
• InChiKey: IRNQEHWHRAZAPL-UHFFFAOYSA-N

物化性质

• 熔点：
  182-185℃
• 沸点：
  389.4±42.0 °C(Predicted)
• 密度：
  1.102
• 溶解度：
  可溶于甲醇：

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• [EN] 2-METHYLTHIOPYRROLIDINES AND THEIR USE FOR MODULATING BACTERIAL QUORUM SENSING<br/>[FR] 2-MÉTHYLTHIOPYRROLIDINES ET LEUR UTILISATION POUR MODULER LA DÉTECTION DU QUORUM BACTÉRIEN
  申请人：FLORIDA INT UNIV BOARD TRUSTEES

  公开号：WO2012174511A1

  公开（公告）日：2012-12-20

  Compounds of Formula (I) are disclosed herein and their use in inhibiting quorum sensing in bacteria.

  本文披露了化学式（I）的化合物及其在抑制细菌中的群体感应中的应用。
• [EN] IN VITRO METHOD FOR DETECTION OF INFECTIONS CAUSED BY PSEUDOMONAS AERUGINOSA<br/>[FR] PROCÉDÉ IN VITRO DE DÉTECTION D'INFECTIONS PROVOQUÉES PAR PSEUDOMONAS AERUGINOSA
  申请人：CONSEJO SUPERIOR INVESTIGACION

  公开号：WO2021198064A1

  公开（公告）日：2021-10-07

  In vitro method for detection of infections caused by pseudomonas aeruginosa. The present invention relates to compounds of general Formula (I) and to their use as haptens. Moreover, the present invention also refers to conjugates comprising the haptens of the invention and to their use for obtaining antibodies. Finally, the invention also relates to an in vitro method for the detection of infections caused by Pseudomonas aeruginosa by means of the identification and/or quantification of the main signaling molecules from the pqs quorum sensing system.

  一种用于检测由铜绿假单胞菌引起的感染的体外方法。本发明涉及一般式（I）的化合物及其作为半抗原的用途。此外，本发明还涉及包含本发明半抗原的结合物，以及它们用于获取抗体的用途。最后，该发明还涉及一种体外方法，通过识别和/或定量pqs群体感应系统中的主要信号分子，用于检测由铜绿假单胞菌引起的感染。
• COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR
  申请人：Universität Konstanz

  公开号：EP3260445A1

  公开（公告）日：2017-12-27

  The present invention relates to a compound, which can be used as an anti-bacterial and/or an anti-fungal agent as well as a zinc sensor. Moreover, the present invention relates to a pharmaceutical composition comprising said compound and methods for treating bacterial or fungal infections in mammals.

  本发明涉及一种化合物，可用作抗菌和/或抗真菌剂以及锌传感器。此外，本发明涉及包括所述化合物的药物组合物以及治疗哺乳动物细菌或真菌感染的方法。
• Novel autoinducer molecules and uses therefor
  申请人：——

  公开号：US20020177715A1

  公开（公告）日：2002-11-28

  Novel bacterial quinolone signal molecules and, more particularly, pseudomonas quinolone signal (“PQS”) molecules, e.g., 2-heptyl-3-hydroxy-4-quinolone, and analogs and derivatives thereof are described. Therapeutic compositions containing the molecules, and therapeutic methods, methods of for regulating gene expression, methods for identifying modulators of the autoinducer molecules, and methods of modulating quorum sensing signalling in bacteria using the compounds of the invention are also described.

  描述了新型细菌喹诺酮信号分子，更具体地说是假单胞菌喹诺酮信号（“PQS”）分子，例如2-庚基-3-羟基-4-喹诺酮，以及其类似物和衍生物。还描述了含有这些分子的治疗组合物，治疗方法，调控基因表达的方法，识别自体诱导分子调节剂的方法，以及利用本发明中的化合物调节细菌中群体感知信号的方法。
• Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof
  申请人：——

  公开号：US20040115732A1

  公开（公告）日：2004-06-17

  The present invention relates to solid phase or solution phase combinatorial libraries of autoinducer analogs. The present invention also relates to autoinducer agonists and antagonists. In addition, the present invention relates to methods for identifying autoinducer agonists and antagonists, as well as methods for regulating the activity of an autoinducer receptor, regulating biofilm formation, regulating growth or virulence of an organism in a subject, inhibiting the quorum sensing mechanism of an organism, and treating an infection in a subject caused by an organism possessing a quorum sensing mechanism which use the autoinducer analogs of the present invention.

  本发明涉及自感应剂类似物的固相或溶液相组合库。本发明还涉及自感应剂和拮抗剂。此外，本发明还涉及识别自感应剂和拮抗剂的方法，以及调节自感应受体的活性、调节生物膜形成、调节生物体在主体中的生长或毒力、抑制生物体的群体感应机制，并使用本发明的自感应剂类似物治疗由具有群体感应机制的生物体引起的主体感染。