3-(2,4-dihydroxy-5-isopropylphenyl)-1-methyl-4-(1-methyl-1H-indol-5-yl)-1H-1,2,4-triazol-5(4H)-one | 1207598-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2,4-dihydroxy-5-isopropylphenyl)-1-methyl-4-(1-methyl-1H-indol-5-yl)-1H-1,2,4-triazol-5(4H)-one
• 英文别名: 5-(2,4-Dihydroxy-5-propan-2-ylphenyl)-2-methyl-4-(1-methylindol-5-yl)-1,2,4-triazol-3-one
• CAS: 1207598-28-4
• 化学式: C₂₁H₂₂N₄O₃
• 分子量: 378.431
• InChiKey: FDJYVTYFVIMNRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY
  申请人：Burlison Joseph A.

  公开号：US20100113447A1

  公开（公告）日：2010-05-06

  The present invention relates to substituted triazole compounds and compositions comprising substituted triazole compounds. The invention further relates to methods of inhibiting the activity of Hsp90 in a subject in need thereof and methods for treating hyperproliferative disorders, such as cancer, in a subject in need thereof comprising administering to the subject a substituted triazole compound of the invention, or a pharmaceutical composition comprising such a compound.

  本发明涉及替代三唑化合物和包含替代三唑化合物的组合物。该发明进一步涉及在需要的主体中抑制Hsp90活性的方法，以及治疗过度增殖性疾病，如癌症，的方法，包括向该主体施用本发明的替代三唑化合物或包含这种化合物的药物组合物。
• Triazole Compounds that Modulate HSP90 Activity
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20150126499A1

  公开（公告）日：2015-05-07

  The present invention relates to substituted triazole compounds and compositions comprising substituted triazole compounds. The invention further relates to methods of inhibiting the activity of Hsp90 in a subject in need thereof and methods for treating hyperproliferative disorders, such as cancer, in a subject in need thereof comprising administering to the subject a substituted triazole compound of the invention, or a pharmaceutical composition comprising such a compound.

  本发明涉及取代三唑化合物和包含取代三唑化合物的组合物。本发明进一步涉及抑制需要的Hsp90活性的方法以及治疗需要的高增殖性疾病，如癌症的方法，包括向受试者施用本发明的取代三唑化合物或含有这种化合物的药物组合物。
• EP2035396B1
  申请人：——

  公开号：EP2035396B1

  公开（公告）日：2014-05-14
• Compounds that modulate HSP90 activity and methods for identifying same
  申请人：Ying Weiwen

  公开号：US20080027047A1

  公开（公告）日：2008-01-31

  The present invention relates to compositions and methods related to inhibitors of Hsp90, including substituted triazole compounds and compositions comprising substituted triazole compounds. The invention further relates to methods of inhibiting the activity of Hsp90 in a subject in need thereof and methods for preventing or treating hyperproliferative disorders, such as cancer, in a subject in need thereof comprising administering to the subject a substituted triazole compound of the invention, or a composition comprising such a compound. The invention further provides methods for designing and identifying inhibitors of Hsp90.
• US8106083B2
  申请人：——

  公开号：US8106083B2

  公开（公告）日：2012-01-31