4-丙基-5-(4-吡啶基)-4H-1,2,4-三唑-3-硫醇 | 90871-45-7

• 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-丙基-5-(4-吡啶基)-4H-1,2,4-三唑-3-硫醇
• 英文名称: 4-propylo-5-(4-pirydylo)-1,2,4-triazolo-3-tion
• 英文别名: 4-propyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol；4-propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol；4-propyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
• CAS: 90871-45-7
• 化学式: C₁₀H₁₂N₄S
• mdl: MFCD05134115
• 分子量: 220.298
• InChiKey: LZRLGHCSTYKCRQ-UHFFFAOYSA-N

物化性质

• 溶解度：
  27.9 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  N1-(4-异丙苯基)-2-氯乙胺 、 4-丙基-5-(4-吡啶基)-4H-1,2,4-三唑-3-硫醇 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成 N-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
  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
• 作为产物：
  描述：

  1-isonicotinoyl-4-propyl thiosemicarbazide 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 16.0h， 生成 4-丙基-5-(4-吡啶基)-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。
• 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。
• Pancechowsak-Ksepko; Foks; Janowiec, Acta poloniae pharmaceutica, 1993, vol. 50, # 2-3, p. 259 - 267
  作者：Pancechowsak-Ksepko、Foks、Janowiec、Zwolska-Kwiek

  DOI：——

  日期：——
• Pyridine-Based 1,2,4-Triazolo-Tethered Indole Conjugates Potentially Affecting TNKS and PI3K in Colorectal Cancer
  作者：Prasanna A. Yakkala、Samir R. Panda、Vegi G. M. Naidu、Syed Shafi、Ahmed Kamal

  DOI：10.1021/acsmedchemlett.2c00475

  日期：2023.3.9