5-(4-chlorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole | 57295-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-chlorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
• 英文别名: 3-(4-chloro-phenyl)-5-methylsulfanyl-1H-[1,2,4]triazole；3-(4-chlorophenyl)-5-methylthio-1,2,4-triazole；3-(4-chloro-phenyl)-5-methylsulfanyl-1H-[1,2,4]triazole；3-(4-Chlor-phenyl)-5-methylmercapto-1H-[1,2,4]triazol
• CAS: 57295-49-5
• 化学式: C₉H₈ClN₃S
• mdl: MFCD00124840
• 分子量: 225.7
• InChiKey: YXVAYMRODBYXIQ-UHFFFAOYSA-N

物化性质

• 熔点：
  154 °C
• 沸点：
  424.9±47.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole 生成 3-(4-chlorophenyl)-5-methylsulfonyl-1H-1,2,4-triazole
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  N-[bis(methylsulfanyl)methylidene]-4-chlorobenzamide 生成 5-(4-chlorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Synthesis and Evaluation of Anti-inflammatory and Analgesic Activities of New 1,2,4-triazole Derivatives
  作者：Fatemeh Ahmadi、Mohsen Ghayahbashi、Mohammad Sharifzadeh、Eskandar Alipoiur、Seyed Ostad、Mohsen Vosooghi、Hamid khademi、Mohsen Amini

  DOI：10.2174/1573406410666140613154507

  日期：2014.12.18

  In this study, the synthesis, anti-inflammatory and analgesic activities of eight new 5-thioalkyl-1,3-diaryl-1,2,4- triazole derivatives were reported. For the anti-inflammatory study, the carrageenan-induced rat paw edema model was used. The test compounds in 50 mg/kg and 100 mg/kg were injected as IP and paw edema was determined. The results showed that some of the compounds have good activity compared to the references drug, indomethacin. For analgesic activity, the test compounds were studied using the in Tail-flick test model in 50 and 100 mg/kg as IP injections. Their analgesic activities were determined after 30 min via latency time assay. Statistical analysis showed that all test compounds have antinociceptive activity in the range of 24% -47% as compared to the control with a dose of 50 mg/kg. However, all tested compounds have analgesic activity lower than the standard drug, morphine.

  在本研究中，报道了八种新型5-硫代烷基-1,3-二芳基-1,2,4-三唑衍生物的合成、抗炎及镇痛活性。对于抗炎研究，采用了卡拉胶诱导的大鼠足跖肿胀模型。测试化合物分别以50 mg/kg和100 mg/kg的剂量通过腹腔注射后测定足跖肿胀情况。结果表明，与参考药物吲哚美辛相比，某些化合物显示出良好的活性。在镇痛活性方面，测试化合物在50 mg/kg和100 mg/kg剂量下通过腹腔注射，运用尾部甩击测试模型进行研究。它们的镇痛活性通过30分钟后的潜伏期时间测定来确定。统计分析显示，与50 mg/kg剂量的对照组相比，所有测试化合物均呈现出24%至47%的痛觉减退活性。然而，所有经测试的化合物镇痛活性均低于标准药物吗啡。
• Syntheses of 5-alkylthio-1,3-diaryl-1,2,4-triazoles
  作者：Latifeh Navidpour、Leila Karimi、Mohsen Amini、Mohssen Vosooghi、Abbas Shafiee

  DOI：10.1002/jhet.5570410209

  日期：2004.3

  Arylation of the readily available 3-alkythio-5-aryl-1,2,4-triazoles gave 5-alkylthio-1,3-diaryl-1,2,4-triazoles in moderate yield. The structures of the latter were confirmed by NOE and 13C-NMR.

  容易获得的3-烷硫基-5-芳基-1,2,4-三唑的丙烯酸化以中等收率得到5-烷硫基-1,3-二芳基-1,2,4-三唑。后者的结构通过NOE和13 C-NMR确认。
• THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM
  申请人：Sinauridze Elena Ivanovna

  公开号：US20100324058A1

  公开（公告）日：2010-12-23

  This invention relates to new chemical compounds, application of these compound as thrombin inhibitors, and pharmaceutical compositions based on them, and can be used to treat and prevent thrombin-dependent thromboembolic events, and in research.

  这项发明涉及新的化合物，这些化合物作为凝血酶抑制剂的应用，以及基于它们的药物组合物，可用于治疗和预防依赖凝血酶的血栓栓塞事件，并用于研究。
• New Synthesis of Dimethyl<i>N</i>-Aroylcarbimidodithioates and 3-Aryl-5-methylthio-1<i>H</i>-1,2,4-triazoles
  作者：Mikihito Sato、Naoaki Fukada、Masahiko Kurauchi、Tatsuo Takeshima

  DOI：10.1055/s-1981-29525

  日期：——
• 116. Compounds related to thiosemicarbazide. Part IV. 5-Amino-3-phenyl-1 : 2 : 4-triazoles
  作者：Eric Hoggarth

  DOI：10.1039/jr9500000612

  日期：——