5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-(4-methylpiperazin-1-yl)phenyl)-N-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-carboxamide | 1207600-28-9

• 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: 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-(4-methylpiperazin-1-yl)phenyl)-N-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-carboxamide
• 英文别名: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxamide
• CAS: 1207600-28-9
• 化学式: C₂₅H₂₉F₃N₆O₃
• 分子量: 518.539
• InChiKey: HGTLRZKBBXOJAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• [EN] TARGETED THERAPEUTICS<br/>[FR] THÉRAPEUTIQUE CIBLÉE
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2015038649A1

  公开（公告）日：2015-03-19

  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.

  本发明提供了包括与将效应子导向至感兴趣的生物靶点的结合基团共轭的药理化合物。同样，本发明提供了包括这些化合物的组合物、试剂盒和方法（例如治疗、诊断和成像）。这些化合物可以被描述为蛋白质相互作用结合基团-药物共轭（SDC-TRAP）化合物，其中包括蛋白质相互作用结合基团和效应子。例如，在针对治疗癌症的某些实施方式中，SDC-TRAP可以包括Hsp90抑制剂共轭到细胞毒性药剂作为效应子。
• [EN] HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS CIBLANT HSP90 ET FORMULATIONS DE CES DERNIERS
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2018112176A1

  公开（公告）日：2018-06-21

  Conjugates of an active agent attached to a targeting moiety, such as an HSP90 binding moiety, via a linker, and particles comprising such conjugates have been designed. Such conjugates and particles can provide improved temporospatial delivery of the active agent, improved biodistribution and penetration in tumor, and/or decreased toxicity. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer.

  已设计出将活性剂与靶向基团（例如HSP90结合基团）通过连接剂连接在一起的共轭物，以及包含这种共轭物的粒子。这种共轭物和粒子可以提供改善活性剂的时间空间传递、改善在肿瘤中的生物分布和穿透性，以及/或减少毒性。提供了制备这些共轭物、粒子和其配方的方法。提供了将这些配方用于治疗或预防癌症等需要的受试者的方法。
• [EN] HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS CIBLANT LA HSP90 ET FORMULATIONS ASSOCIÉES
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2019195384A1

  公开（公告）日：2019-10-10

  Conjugates of an active agent attached to a targeting moiety, such as at least one HSP90 binding moiety, via a linker, have been designed. Such conjugates can provide improved temporospatial delivery of the active agent, improved biodistribution and penetration in tumor, and/or decreased toxicity. Methods of making the conjugates and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer.

  已设计出将活性剂与靶向基团（例如至少一个HSP90结合基团）通过连接剂结合的共轭物。这种共轭物可以提供改善活性剂的时间空间传递、改善在肿瘤中的生物分布和穿透性，以及/或减少毒性。提供了制备这些共轭物及其配方的方法。提供了将这些配方用于治疗或预防癌症等需要的受试者的方法。
• [EN] HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS LIÉS À HSP90 ET FORMULATIONS DE CEUX-CI
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2020205948A1

  公开（公告）日：2020-10-08

  Conjugates of an active agent attached to a targeting moiety, such as at least one HSP90 binding moiety, via a linker, have been designed. Such conjugates can provide improved temporospatial delivery of the active agent, improved biodistribution and penetration in tumor, and/or decreased toxicity. Methods of making the conjugates and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer.

  将附着到靶向基团上的活性药剂的共轭物，例如至少一个HSP90结合基团，通过连接剂设计。这样的共轭物可以提供改善的活性药剂的时间空间传递，改善在肿瘤中的生物分布和渗透，以及/或减少毒性。提供了制备这些共轭物和其配方的方法。提供了将这些配方用于需要的受试者的方法，例如用于治疗或预防癌症。
• 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。