4-(5-hydroxy-4-(4-(4-methylpiperazin-1-yl)phenyl)-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol | 1050500-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(5-hydroxy-4-(4-(4-methylpiperazin-1-yl)phenyl)-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol
• 英文别名: 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazol-5-one
• CAS: 1050500-96-3
• 化学式: C₂₂H₂₇N₅O₃
• 分子量: 409.488
• InChiKey: RAAJFUVDMRKXFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.6
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(4-(4-methylpiperazin-1-yl)phenyl)hydrazinecarboxamide 在 palladium 10% on activated carbon 、 溶剂黄146 、 potassium hexacyanoferrate(III) sodium hydroxide 、 氢气 作用下， 以 甲醇 、 乙醇 、 乙酸乙酯 为溶剂， 反应 12.0h， 生成 4-(5-hydroxy-4-(4-(4-methylpiperazin-1-yl)phenyl)-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol
  参考文献：
  名称：

  WO2008/103353

  摘要：

  公开号：

文献信息

• Triazole compounds that modulate Hsp90 activity
  申请人：Sun Lijun

  公开号：US20080176840A1

  公开（公告）日：2008-07-24

  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 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.

  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。该发明还涉及在需要的受试者中抑制Hsp90活性的方法，以及预防或治疗过度增殖性疾病，如癌症，的方法，包括向受试者施用本发明的替代三唑化合物或包含这种化合物的组合物。
• A BINDING MOIETY-DRUG CONJUGATE COMPRISING A HSP90 BINDING MOIETY AND A CYTOTOXIC EFFECTOR MOIETY
  申请人：Madrigal Pharmaceuticals, Inc.

  公开号：EP3466416A2

  公开（公告）日：2019-04-10

  The present invention provides pharmacological compounds including an effector moiety conjugated to a binding moiety that directs the effector moiety to a biological target of interest. Likewise, the present invention provides compositions, kits, and methods (e.g., therapeutic, diagnostic, and imaging) including the compounds. The compounds can be described as a protein interacting binding moiety-drug conjugate (SDC-TRAP) compounds, which include a protein interacting binding moiety and an effector moiety. For example, in certain embodiments directed to treating cancer, the SDC-TRAP can include an Hsp90 inhibitor conjugated to a cytotoxic agent as the effector moiety.

  本发明提供的药理化合物包括与结合基团共轭的效应分子，该结合基团可将效应分子导向感兴趣的生物靶标。同样，本发明还提供了包括这些化合物的组合物、试剂盒和方法（如治疗、诊断和成像）。这些化合物可被描述为蛋白质相互作用结合分子-药物共轭物（SDC-TRAP）化合物，其中包括蛋白质相互作用结合分子和效应分子。例如，在某些用于治疗癌症的实施方案中，SDC-TRAP 可包括与细胞毒剂共轭的 Hsp90 抑制剂作为效应分子。
• TARGETED THERAPEUTICS HAVING AN HSP90 LIGAND AS BINDING MOIETY
  申请人：Madrigal Pharmaceuticals, Inc.

  公开号：EP3738594A1

  公开（公告）日：2020-11-18

  The present invention provides pharmacological compounds including an effector moiety conjugated to a binding moiety that directs the effector moiety to a biological target of interest. Likewise, the present invention provides compositions and therapeutic methods including the compounds. The compounds can be described as a protein interacting binding moiety-drug conjugate (SDC-TRAP) compounds, which include a protein interacting binding moiety which is an Hsp90 ligand and an effector moiety. The therapeutic uses include the treatment of cancer, chronic bronchitis, asthma, and actinic keratosis.

  本发明提供的药理化合物包括与结合基团共轭的效应分子，该结合基团可将效应分子导向感兴趣的生物靶标。同样，本发明还提供了包括这些化合物的组合物和治疗方法。这些化合物可以被描述为蛋白质相互作用结合分子-药物共轭物（SDC-TRAP）化合物，其中包括一个蛋白质相互作用结合分子（Hsp90 配体）和一个效应分子。治疗用途包括治疗癌症、慢性支气管炎、哮喘和日光性角化病。
• TARGETED THERAPEUTICS
  申请人：Madrigal Pharmaceuticals, Inc.

  公开号：EP3035938B1

  公开（公告）日：2020-08-19
• US8053456B2
  申请人：——

  公开号：US8053456B2

  公开（公告）日：2011-11-08