4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | 17119-19-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 英文别名: 4-p-Tolyl-1,2,4-triazolin-3-thion；4-p-tolyl-2,4-dihydro-[1,2,4]triazole-3-thione；4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
• CAS: 17119-19-6
• 化学式: C₉H₉N₃S
• 分子量: 191.257
• InChiKey: VTPSISANBKBYNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-溴-4-甲基苯基)-2-氯乙酰胺 、 4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-bromo-4-methyl-phenyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  参考文献：
  名称：

  Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase

  摘要：

  A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthio-semicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.048
• 作为产物：
  描述：

  对甲苯异硫氰酸酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
  参考文献：
  名称：

  氨基硫脲和 S-三唑衍生物的抗菌和理化特性

  摘要：

  图形摘要摘要已合成了两个系列氨基硫脲衍生物和三个系列的s-三唑衍生物。测试了所有这些化合物对革兰氏阳性和革兰氏阴性细菌菌株的体外抗菌活性。在测试的氨基硫脲衍生物中，检测到两种具有 3-/4-甲苯基取代（1 l，1 m）的 1-甲酰氨基硫脲的最佳生物活性（MIC 范围在 31.25 和 250 μg/mL 之间）。所有测试的 s-三唑衍生物的抗菌活性都低于它们的无环前体。

  DOI：

  10.1080/10426507.2014.902831

文献信息

• COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO
  申请人：United States Government As Represented By The Department of Veterans Affairs

  公开号：US20210106567A1

  公开（公告）日：2021-04-15

  Described herein are compositions and methods for treating cancer in a subject. The compositions include selective NF-κB inhibitor inhibitors. The methods include inhibiting the binding of CARP-1 with NEMO.
• [EN] COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO<br/>[FR] COMPOSITIONS ET MÉTHODES POUR INHIBER LA LIAISON DE CARP-1 AU NEMO
  申请人：US GOV VETERANS AFFAIRS

  公开号：WO2021067572A2

  公开（公告）日：2021-04-08

  Described herein are compositions and methods for treating cancer in a subject. The compositions include selective NF-kB inhibitor inhibitors. The methods include inhibiting the binding of CARP-1 with NEMO.