4-{[(3-Methoxy-2-prop-2-enyloxyphenyl)methyl]amino}-1,2,4-triazole-3-thiol | 708991-09-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-{[(3-Methoxy-2-prop-2-enyloxyphenyl)methyl]amino}-1,2,4-triazole-3-thiol
• 英文别名: 4-[(3-methoxy-2-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione
• CAS: 708991-09-7
• 化学式: C₁₃H₁₆N₄O₂S
• 分子量: 292.36
• InChiKey: NHJCZZWENDYDEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  90.2
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase
  申请人：Yale University

  公开号：US20150272939A1

  公开（公告）日：2015-10-01

  The present invention includes a novel high-throughput screen capable of identifying compounds that inhibit JARID1B demethylase activity or JARID1A demethylase activity. The present invention further includes novel inhibitors of JARID1B demethylase activity and/or JARID1A demethylase activity, and methods using the same.
• Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) Histone Demethylase
  申请人：YALE UNIVERSITY

  公开号：US20190151289A1

  公开（公告）日：2019-05-23

  The present invention includes novel inhibitors of JARID1A demethylase activity, and methods using the same.
• [EN] IDENTIFICATION OF SMALL MOLECULE INHIBITORS OF JUMONJI AT-RICH INTERACTIVE DOMAIN 1A (JARID1A) HISTONE DEMETHYLASE<br/>[FR] IDENTIFICATION D'INHIBITEURS À PETITES MOLÉCULES DE L'HISTONE DÉMÉTHYLASE À DOMAINE 1A INTERACTIF RICHE EN AT, JUMONJI (JARID1A)
  申请人：UNIV YALE

  公开号：WO2017197210A1

  公开（公告）日：2017-11-16

  The present invention includes novel inhibitors of JARIDl A demethylase activity, and methods using the same.
• [EN] METHODS FOR THE TREATMENT OF CANCER<br/>[FR] PROCÉDÉS DE TRAITEMENT DU CANCER
  申请人：MASSACHUSETTS GEN HOSPITAL

  公开号：WO2018102736A1

  公开（公告）日：2018-06-07

  The present invention relates, at least in part, to methods for controlling DNA amplification, e.g., in cancer cells.
• [EN] INHIBITORS OF KDM5A FOR USE IN TREATMENT OF IDIOPATHIC INFLAMMATORY MYOPATHIES<br/>[FR] INHIBITEURS DE KDM5A DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE MYOPATHIES INFLAMMATOIRES IDIOPATHIQUES
  申请人：UNIV ANTWERPEN

  公开号：WO2021116372A1

  公开（公告）日：2021-06-17

  The invention concerns KDM5A inhibitors for use in prevention or treatment of idiopathic inflammatory myopathies such as polymyositis, dermatomyositis, necrotizing autoimmune myopathy, and in particular sporadic inclusion body myositis, and diagnosis of these diseases based on KDM5A expression levels in muscle tissue. The invention further concerns pharmaceutical compositions comprising KDM5A inhibitors for use in prevention or treatment of idiopathic inflammatory myopathies such as polymyositis, dermatomyositis, necrotizing autoimmune myopathy, and in particular sporadic inclusion body myositis.