5-Methylsulfanyl-3-thiophen-2-yl-1H-[1,2,4]triazole | 79388-72-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-Methylsulfanyl-3-thiophen-2-yl-1H-[1,2,4]triazole
• 英文别名: 3-methylsulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
• CAS: 79388-72-0
• 化学式: C₇H₇N₃S₂
• 分子量: 197.285
• InChiKey: VERASXCEWLJDQW-UHFFFAOYSA-N

物化性质

• 沸点：
  422.3±37.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  95.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(2-Thienoyl)-imino-dithiokohlensaeure-S,S'-dimethylester 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以81%的产率得到5-Methylsulfanyl-3-thiophen-2-yl-1H-[1,2,4]triazole
  参考文献：
  名称：

  New Synthesis of DimethylN-Aroylcarbimidodithioates and 3-Aryl-5-methylthio-1H-1,2,4-triazoles

  摘要：

  DOI：

  10.1055/s-1981-29525

文献信息

• [EN] MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS<br/>[FR] COMPOSÉS AROMATIQUES MULTISUBSTITUÉS EN TANT QU'INHIBITEURS DE SÉRINE PROTÉASE
  申请人：VERSEON INC

  公开号：WO2014145986A1

  公开（公告）日：2014-09-18

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of kallikrein, which compounds include substituted pyrazolyl or substituted triazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which disease or disorder is amenable to treatment or prevention by the inhibition of kallikrein.

  提供了用于抑制激肽酶的多取代芳香化合物，其中这些化合物包括取代吡唑基或取代三唑基。此外还提供了药物组合物。此外还提供了治疗和预防某些疾病或疾病的方法，这些疾病或疾病可通过抑制激肽酶来治疗或预防。
• MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN
  申请人：VERSEON CORPORATION

  公开号：US20170326125A1

  公开（公告）日：2017-11-16

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin, which compounds include substituted pyrazolyl or substituted triazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing a disease or disorder, which disease or disorder is amenable to treatment or prevention by the inhibition of thrombin.

  提供了用于抑制凝血酶的多取代芳香化合物，其中化合物包括取代的吡唑基或取代的三唑基。此外还提供了药物组合物。此外还提供了治疗和预防疾病或紊乱的方法，该疾病或紊乱可通过抑制凝血酶进行治疗或预防。
• MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS
  申请人：VERSEON CORPORATION

  公开号：US20160024047A1

  公开（公告）日：2016-01-28

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of kallikrein, which compounds include substituted pyrazolyl or substituted triazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which disease or disorder is amenable to treatment or prevention by the inhibition of kallikrein.

  本发明提供了多取代芳香化合物，其中包括取代的吡唑基或取代的三唑基，用于抑制卡利肽酶，另外还提供了制药组合物。本发明还提供了治疗和预防某些疾病或疾病的方法，该疾病或疾病可通过抑制卡利肽酶来治疗或预防。
• Multisubstituted aromatic compounds as serine protease inhibitors
  申请人：VERSEON CORPORATION

  公开号：US10251872B2

  公开（公告）日：2019-04-09

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of kallikrein, which compounds include substituted pyrazolyl or substituted triazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which disease or disorder is amenable to treatment or prevention by the inhibition of kallikrein.

  除其他外，还提供了可用于抑制卡利克林的多取代芳香族化合物，这些化合物包括取代的吡唑基或取代的三唑基。 另外还提供了药物组合物。 此外，还提供了治疗和预防某些疾病或失调的方法，这些疾病或失调可通过抑制卡利克林来治疗或预防。
• Multisubstituted aromatic compounds as inhibitors of thrombin
  申请人：VERSEON CORPORATION

  公开号：US10653674B2

  公开（公告）日：2020-05-19

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin, which compounds include substituted pyrazolyl or substituted triazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing a disease or disorder, which disease or disorder is amenable to treatment or prevention by the inhibition of thrombin.

  除其他外，还提供了可用于抑制凝血酶的多取代芳香族化合物，这些化合物包括取代的吡唑基或取代的三唑基。此外，还提供了药物组合物。另外还提供了治疗和预防疾病或紊乱的方法，这种疾病或紊乱可通过抑制凝血酶来治疗或预防。