4-乙基-5-吡啶-3-基-4H-[1,2,4]三唑-3-硫醇 | 26131-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-乙基-5-吡啶-3-基-4H-[1,2,4]三唑-3-硫醇
• 中文别名: 4-乙基-5-(3-吡啶基)-2H-1,2,4-三唑-3-硫酮；4-乙基-5-吡啶-3-基-2H-1,2,4-三唑-3-硫酮
• 英文名称: 4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
• 英文别名: 4-ethyl-5-pyridin-3-yl-2,4-dihydro-[1,2,4]triazole-3-thione；1-ethyl-5-mercapto-2-(pyridin-3-yl)-1,3,4-triazole；1-ethyl-5-mercapto-2-(3-pyridyl)-1,3,4-triazole；4-ethyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
• CAS: 26131-68-0
• 化学式: C₉H₁₀N₄S
• mdl: MFCD02229826
• 分子量: 206.271
• InChiKey: NCPZCRVLFQRVRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-乙基-5-吡啶-3-基-4H-[1,2,4]三唑-3-硫醇 在 Oxone 、 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 82.0h， 生成 N-(2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethyl)-4-isopropylaniline
  参考文献：
  名称：

  [EN] COMPOSITIONS FOR INHIBITION OF INSECT SENSING
  [FR] COMPOSITION DESTINÉE À INHIBER LES PERCEPTIONS DES INSECTES

  摘要：

  公开号：

  WO2012154403A3
• 作为产物：
  描述：

  烟酸甲酯 在 肼 作用下， 反应 16.5h， 生成 4-乙基-5-吡啶-3-基-4H-[1,2,4]三唑-3-硫醇
  参考文献：
  名称：

  Narrow SAR in odorant sensing Orco receptor agonists

  摘要：

  The systematic exploration of a series of triazole-based agonists of the cation channel insect odorant receptor is reported. The structure-activity relationships of independent sections of the molecules are examined. Very small changes to the compound structure were found to exert a large impact on compound activity. Optimal substitutions were combined using a 'mix-and-match' strategy to produce best-in-class compounds that are capable of potently agonizing odorant receptor activity and may form the basis for the identification of a new mode of insect behavior modification. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.081

文献信息

• Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists
  申请人：Edwards Louise

  公开号：US20050272779A1

  公开（公告）日：2005-12-08

  The present invention relates to new compounds of formula I, to pharmaceutical formulations containing the compounds, and to the use of the compounds in the prevention and/or treatment of mGluR5 receptor-mediated disorders.

  本发明涉及公式I的新化合物，包含该化合物的药物配方，以及利用该化合物预防和/或治疗mGluR5受体介导的疾病的用途。
• [EN] THERMAL VOLATILIZATION OF ORCO AGONISTS<br/>[FR] VOLATILISATION THERMIQUE D'AGONISTES D'ORCO
  申请人：ZWIEBEL LAURENCE J

  公开号：WO2017011466A1

  公开（公告）日：2017-01-19

  In one aspect, the invention relates to chemical modulators of insect olfactory receptors. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in airborne insects such as mosquitos. Method of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，该发明涉及昆虫嗅觉受体的化学调节剂。具体来说，提供了可以抑制空气中蚊子等昆虫的感觉（例如宿主定位）功能的化合物和组合物。还提供了使用这些药剂的方法以及包含相同药剂的文章。本摘要旨在作为在特定领域搜索的扫描工具，并不打算限制本发明。
• [EN] BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING<br/>[FR] COMPOSITIONS BINAIRES UTILISÉES COMME PERTURBATEURS DE DÉTECTION DE SUBSTANCES ODORANTES DÉPENDANT DES RÉCEPTEURS ORCO
  申请人：UNIV VANDERBILT

  公开号：WO2016154471A1

  公开（公告）日：2016-09-29

  In one aspect, the invention relates to binary compositions that disrupt ORco- mediated odorant sensing. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in organisms that express ORco receptors such as airborne insects, e.g., mosquitos, and ticks. Method of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在某个方面，本发明涉及破坏ORco介导的气味感应的二元组合物。具体地，提供了可以抑制表达ORco受体的生物体（例如空气传播昆虫，如蚊子和蜱）的感觉（例如宿主定位）功能的化合物和组合物。还提供了使用这些药剂的方法和包含这些药剂的文章。本摘要旨在作为搜索特定领域的扫描工具，不限制本发明。
• Compounds
  申请人：Arora Jalaj

  公开号：US20060122397A1

  公开（公告）日：2006-06-08

  The present invention relates to new compounds of formula I, a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy.

  本发明涉及化合物I的新化合物，其制备过程和其中制备的新中间体，含有该化合物的制药配方以及在治疗中使用该化合物的用途。
• ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS
  申请人：Edwards Louise

  公开号：US20080045571A1

  公开（公告）日：2008-02-21

  The present invention relates to new compounds of formula I, to pharmaceutical formulations containing the compounds, and to the use of the compounds in the prevention and/or treatment of mGluR5 receptor-mediated disorders.

  本发明涉及公式I的新化合物，包括含有该化合物的制药配方，以及该化合物在预防和/或治疗mGluR5受体介导的疾病中的使用。