cyclopropylmethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate | 1426058-84-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: cyclopropylmethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate
• 英文别名: cyclopropylmethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate
• CAS: 1426058-84-5
• 化学式: C₉H₁₁N₃O₄S
• 分子量: 257.27
• InChiKey: HZKGDNRRJPWQBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO<br/>[FR] ANALOGUES HÉTÉROCYCLIQUES DE CAI-1 EN TANT QU'AGONISTES DE LA DÉTECTION DU QUORUM CHEZ VIBRIO
  申请人：UNIV PRINCETON

  公开号：WO2015026796A1

  公开（公告）日：2015-02-26

  A structurally distinct and potent series of synthetic small molecule activators of Vibrio cholerae quorum sensing have been chemically synthesized. The small molecule activators reduce virulence in V. cholerae. Acyl pyrrole molecules displayed strong potency and stability, particularly l-(1H-pyrrol-3-yl)decan-l-one.

  一系列结构独特且强效的合成小分子活化剂已经化学合成，用于强化霍乱弧菌的群体感应。这些小分子活化剂降低了霍乱弧菌的毒力。酰基吡咯分子表现出很强的效力和稳定性，尤其是l-(1H-吡咯-3-基)癸酮。
• [EN] BROAD SPECTRUM PRO-QUORUM-SENSING MOLECULES AS INHIBITORS OF VIRULENCE IN VIBRIOS<br/>[FR] MOLÉCULES DE DÉTECTION DE QUORUM À LARGE SPECTRE COMME INHIBITEURS DE VIRULENCE DE VIBRIONS
  申请人：UNIV PRINCETON

  公开号：WO2014092751A1

  公开（公告）日：2014-06-19

  Using a whole-cell high-throughput screen, eleven molecules were identified that activate V. cholerae quorum sensing (QS). Eight molecules are receptor agonists and three molecules are antagonists of LuxO, the central NtrC-type response regulator that controls the global V. cholerae QS cascade. Pro-QS molecules are used for the development of novel anti-infectives.

  使用全细胞高通量筛选，已经鉴定出11种分子可以激活V. cholerae群体感应（QS）。其中8种分子是受体激动剂，另外3种分子则是LuxO的拮抗剂，LuxO是控制全球V. cholerae QS级联反应的中央NtrC型响应调节器。这些促进QS的分子可用于开发新型抗感染剂。
• BROAD SPECTRUM PRO-QUORUM-SENSING MOLECULES AS INHIBITORS OF VIRULENCE IN VIBRIOS
  申请人：THE TRUSTEES OF PRINCETON UNIVERSITY

  公开号：US20150126474A1

  公开（公告）日：2015-05-07

  Using a whole-cell high-throughput screen, eleven molecules were identified that activate V. cholerae quorum sensing (QS). Eight molecules are receptor agonists and three molecules are antagonists of LuxO, the central NtrC-type response regulator that controls the global V. cholerae QS cascade. Pro-QS molecules are used for the development of novel anti-infectives.

  使用全细胞高通量筛选，鉴定出了11种分子，可以激活V. cholerae的群体感应（QS）。其中8种分子是受体激动剂，3种分子是LuxO的拮抗剂，LuxO是控制全局V. cholerae QS级联反应的中央NtrC型响应调节器。Pro-QS分子可用于开发新型抗感染药物。
• HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO
  申请人：BASSLER Bonnie L.

  公开号：US20160200678A1

  公开（公告）日：2016-07-14

  A structurally distinct and potent series of synthetic small molecule activators of Vibrio cholerae quorum sensing have been chemically synthesized. The small molecule activators reduce virulence in V. cholerae . Acyl pyrrole molecules displayed strong potency and stability, particularly 1-(1H-pyrrol-3-yl)decan-1-one.

  一种结构独特且有效的合成小分子激活剂系列已经化学合成，可以激活霍乱弧菌的感应系统。这些小分子激活剂可以减少霍乱弧菌的毒力。酰基吡咯分子表现出强大的效力和稳定性，特别是1-(1H-吡咯-3-基)癸酮。
• Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio
  申请人：The Trustees of Princeton University

  公开号：US10285978B2

  公开（公告）日：2019-05-14

  A structurally distinct and potent series of synthetic small molecule activators of Vibrio cholerae quorum sensing have been chemically synthesized. The small molecule activators reduce virulence in V. cholerae. Acyl pyrrole molecules displayed strong potency and stability, particularly 1-(1H-pyrrol-3-yl)decan-1-one.

  我们用化学方法合成了一系列结构独特、效力强大的霍乱弧菌法定人数感应合成小分子激活剂。这些小分子激活剂降低了霍乱弧菌的毒力。酰基吡咯分子显示出很强的效力和稳定性，尤其是 1-（1H-吡咯-3-基）癸-1-酮。