1-(4-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-(ethylcarbamoyl)-4H-1,2,4-triazol-4-yl)benzyl)piperidine-4-carboxylic acid | 1207597-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(4-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-(ethylcarbamoyl)-4H-1,2,4-triazol-4-yl)benzyl)piperidine-4-carboxylic acid
• 英文别名: 1-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-4-carboxylic acid
• CAS: 1207597-54-3
• 化学式: C₂₇H₃₃N₅O₅
• 分子量: 507.59
• InChiKey: FYVMLYSEAOEMES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  141
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(4-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-(ethylcarbamoyl)-4H-1,2,4-triazol-4-yl)benzyl)piperidine-4-carboxylic acid 在 silver sulfate 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 21.0h， 生成 2-(1-(4-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-(ethylcarbamoyl)-4H-1,2,4-triazol-4-yl)benzyl)piperidine-4-carboxamido)carboxylate diamineplatinum(II)
  参考文献：
  名称：

  [EN] TARGETED THERAPEUTICS
  [FR] THÉRAPEUTIQUE CIBLÉE

  摘要：

  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。

  公开号：

  WO2015038649A1

文献信息

• [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。
• 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。
• TARGETED THERAPEUTICS
  申请人：Chimmanamada Dinesh U.

  公开号：US20140079636A1

  公开（公告）日：2014-03-20

  The present invention provides pharmacological compounds including an effector moiety conjugated to an 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.

  本发明提供了药理化合物，包括将效应器基团偶联到结合基团上，以将效应器基团定向到感兴趣的生物靶点。同样，本发明提供了包括该化合物的组合物、试剂盒和方法（例如治疗、诊断和成像）。该化合物可以被描述为蛋白质相互作用的结合基团-药物偶联物（SDC-TRAP）化合物，包括蛋白质相互作用的结合基团和效应器基团。例如，在治疗癌症的某些实施方案中，SDC-TRAP可以包括Hsp90抑制剂与细胞毒素剂作为效应器基团的偶联物。
• 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。
• 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。