4-乙基-5-吡啶-4-基-4H-[1,2,4]三唑-3-硫醇 | 26029-01-6

• 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-4-基-4H-[1,2,4]三唑-3-硫醇
• 中文别名: 4-乙基-5-(4-吡啶基)-4H-1,2,4-三唑-3-硫醇；3H-1,2,4-三唑-3-硫酮,4-乙基-2,4-二氢-5-(4-吡啶基)-；4-乙基-5-吡啶-4-基-2H-1,2,4-三唑-3-硫酮；4-乙基-5-(4-吡啶基)-2H-1,2,4-三唑-3-硫酮；4H-[1,2,4]三唑-3-硫醇,4-乙基-5-吡啶-4-基-
• 英文名称: 4-ethyl-3-(piridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione
• 英文别名: 4-ethyl-5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione；4-Ethyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol；4-ethyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
• CAS: 26029-01-6
• 化学式: C₉H₁₀N₄S
• mdl: MFCD03286275
• 分子量: 206.271
• InChiKey: ABRXECVGFQUVGO-UHFFFAOYSA-N

物化性质

• 熔点：
  290-293 °C
• 沸点：
  309.0±34.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

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

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-乙基-5-吡啶-4-基-4H-[1,2,4]三唑-3-硫醇 在 镍 作用下， 以 乙醇 为溶剂， 反应 28.0h， 以to yield the title compound (2.88 g, 81.3%)的产率得到4-ethyl-3-(pyridin-4-yl)-4H-1,2,4-triazole
  参考文献：
  名称：

  Tetrazole compounds and their use as metabotropic glutamate receptor antagonists

  摘要：

  本发明涉及公式I的新化合物，其中P、Q、X1、X2、X3、X4、R1、R2、m和p如公式I中所定义，或其盐、溶剂合物或溶剂化盐，其制备过程以及用于其制备的新中间体，含有该化合物的药物组合物，以及该化合物在治疗中的用途。

  公开号：

  US20070197549A1
• 作为产物：
  描述：

  异烟酸甲酯 在 肼 作用下， 反应 16.5h， 生成 4-乙基-5-吡啶-4-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

• [EN] TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS<br/>[FR] COMPOSES DE TETRAZOLE ET LEUR UTILISATION COMME ANTAGONISTES DE RECEPTEURS DE GLUTAMATE METABOTROPIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2005080356A1

  公开（公告）日：2005-09-01

  The present invention relates to new compounds of formula I, wherein P, Q, X1, X2, X3, X4, R1, R2, m and p, are as defined as in formula I, or salts, solvates or solvated salts thereof, processes for their preparation and new intermediates used in the preparation thereof, pharmaceutical compositions containing said compounds, and to the use of said compounds in therapy.

  本发明涉及公式I的新化合物，其中P、Q、X1、X2、X3、X4、R1、R2、m和p如公式I中所定义，或其盐、溶剂合物或溶剂化盐，其制备方法及用于制备所述化合物的新中间体，含有所述化合物的药物组合物，以及所述化合物在治疗中的使用。
• 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。
• Synthesis of [(4,5-disubstituted-4<i>H</i>-1,2,4-triazol-3-yl)thio]alkanoic acids and their analogues as possible antiinflammatory agents
  作者：Kuangsen Sung、An-Rong Lee

  DOI：10.1002/jhet.5570290512

  日期：1992.8

  A series of [(4,5-disubstituted-4H-1,2,4-triazol-3-yl)thio]alkanoic acids 40–56 and their analogues 57–61 were synthesized for their possible antiinflammatory activities.

  合成了一系列[（4,5-二取代-4 H -1,2,4-三唑-3-基）硫代]链烷酸40-56及其类似物57-61，因为它们可能具有抗炎作用。
• [EN] PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES<br/>[FR] UTILISATION PHARMACEUTIQUE DE 1,2,4-TRIAZOLES SUBSTITUEES
  申请人：NOVO NORDISK AS

  公开号：WO2004089367A1

  公开（公告）日：2004-10-21

  The use of substituted 1,2,4-triazoles for modulating the activity of 11 β-hydroxysteroid dehydrogenase type 1 (11 βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of substituted 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11 βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  已描述了使用取代的1,2,4-三唑来调节11β-羟基甾醇脱氢酶1（11βHSD1）活性以及将这些化合物用作药物组合物的用途。还描述了一类新型的取代的1,2,4-三唑，它们在治疗中的用途，包含这些化合物的药物组合物，以及它们在制造药物中的用途。这些化合物是11βHSD1活性的调节剂，更具体地是抑制剂，并且可能在治疗、预防和/或预防一系列需要降低细胞内活性糖皮质激素浓度的医学疾病中有用。
• [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。