INP1788 | 315698-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: INP1788
• 英文别名: 5-Chloro-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
• CAS: 315698-35-2
• 化学式: C₂₀H₁₉ClFN₃O
• 分子量: 371.842
• InChiKey: KYJSUKDFCORLNT-UHFFFAOYSA-N

物化性质

• 沸点：
  547.5±50.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 5-氯-8-羟基喹啉 、 1-(4-氟苯基)哌嗪 在 吡啶 作用下， 反应 0.5h， 生成 INP1788
  参考文献：
  名称：

  Derivatives of 8-hydroxyquinoline—antibacterial agents that target intra- and extracellular Gram-negative pathogens

  摘要：

  Small molecule screening identified 5-nitro-7-((4-phenylpiperazine-1-yl-)methyl)quinolin-8-ol INP1750 as a putative inhibitor of type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis. In this study we report structure-activity relationships for inhibition of T3S and show that the most potent compounds target both the extracellular bacterium Y. pseudotuberculosis and the intracellular pathogen Chlamydia trachomatis in cell-based infection models. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.096

文献信息

• Parkin ligase activation methods and compositions
  申请人：An2H Discovery Limited

  公开号：US10155936B2

  公开（公告）日：2018-12-18

  The present invention is directed to methods and compositions for activating a Parkin ligase by administering to a subject in need thereof a therapeutically effective amount of a compound that disrupts at least one Parkin ligase zinc finger. The present invention is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase.

  本发明涉及通过向有需要的受试者施用治疗有效量的破坏至少一个Parkin连接酶锌指的化合物来激活Parkin连接酶的方法和组合物。本发明还涉及治疗和/或降低与激活Parkin连接酶有关的疾病或病症发病率的方法。
• METHOD AND MEANS FOR PREVENTING AND INHIBITING TYPE III SECRETION IN INFECTIONS CAUSED BY GRAM-NEGATIVE BACTERIA
  申请人：Elofsson Mikael

  公开号：US20100099674A1

  公开（公告）日：2010-04-22

  A means for decreasing bacterial virulence in a mammal including man or in a plant by inhibition of the Type III secretion system at concentrations that do not prevent or substantially reduce bacterial growth comprises an N-substituted 7-quinolylmethyl amine, in particular one that is further substituted in 5- and 8-position on the quinoline ring. A corresponding therapeutic method and a pharmaceutical composition are also disclosed.
• PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS
  申请人：An2H Discovery Limited

  公开号：US20160160205A1

  公开（公告）日：2016-06-09

  The present invention is directed to methods and compositions for activating a Parkin ligase by administering to a subject in need thereof a therapeutically effective amount of a compound that disrupts at least one Parkin ligase zinc finger. The present invention is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase.
• [EN] METHOD AND MEANS FOR PREVENTING AND INHIBITING TYPE III SECRETION IN INFECTIONS CAUSED BY GRAM-NEGATIVE BACTERIA<br/>[FR] PROCÉDÉ ET MOYENS POUR PRÉVENIR ET INHIBER UNE SÉCRÉTION DE TYPE III DANS DES INFECTIONS PROVOQUÉES PAR UNE BACTÉRIE À GRAM-NÉGATIF
  申请人：INNATE PHARMACEUTICALS AB

  公开号：WO2008115118A1

  公开（公告）日：2008-09-25

  [EN] A means for decreasing bacterial virulence in a mammal including man or in a plant by inhibition of the Type III secretion system at concentrations that do not prevent or substantially reduce bacterial growth comprises an N-substituted 7-quinolylmethyl amine, in particular one that is further substituted in 5- and 8-position on the quinoline ring. A corresponding therapeutic method and a pharmaceutical composition are also disclosed.
  [FR] L'invention concerne des moyens pour diminuer la virulence bactérienne ou dans un végétal ou chez un mammifère, dont l'homme, par inhibition du système de sécrétion de type III à des concentrations qui n'empêchent pas ou ne réduisent sensiblement pas la croissance bactérienne et qui incluent une 7-quinolylméthylamine N-substituée, en particulier une 7-quinolylméthylamine N-substituée qui est substituée à nouveau en position 5 et en position 8 sur le cycle de quinoline. Un procédé thérapeutique correspondant et une composition pharmaceutique sont également décrits.
• Derivatives of 8-hydroxyquinoline—antibacterial agents that target intra- and extracellular Gram-negative pathogens
  作者：Per-Anders Enquist、Åsa Gylfe、Ulrik Hägglund、Pia Lindström、Henrik Norberg-Scherman、Charlotta Sundin、Mikael Elofsson

  DOI：10.1016/j.bmcl.2012.03.096

  日期：2012.5

  Small molecule screening identified 5-nitro-7-((4-phenylpiperazine-1-yl-)methyl)quinolin-8-ol INP1750 as a putative inhibitor of type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis. In this study we report structure-activity relationships for inhibition of T3S and show that the most potent compounds target both the extracellular bacterium Y. pseudotuberculosis and the intracellular pathogen Chlamydia trachomatis in cell-based infection models. (C) 2012 Elsevier Ltd. All rights reserved.