3-(5-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-hydroxy-4H-1,2,4-triazol-4-yl)-1H-indol-1-yl)propanoic acid | 1060040-85-8

• 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-(5-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-hydroxy-4H-1,2,4-triazol-4-yl)-1H-indol-1-yl)propanoic acid
• 英文别名: 3-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]propanoic acid
• CAS: 1060040-85-8
• 化学式: C₂₂H₂₂N₄O₅
• 分子量: 422.44
• InChiKey: JMBCHOODXXXKDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(5-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-hydroxy-4H-1,2,4-triazol-4-yl)-1H-indol-1-yl)propanoic acid 、 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以79%的产率得到(S)-2-(4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-1H-pyrrole-2-carboxamido)-2-(3-chlorophenyl)ethyl 1-(3-(5-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-hydroxy-4H-1,2,4-triazol-4-yl)-1H-indol-1-yl)propanamido)cyclopropanecarboxylate
  参考文献：
  名称：

  [EN] HSP90 INHIBITOR DRUG CONJUGATES
  [FR] CONJUGUÉS DE TYPE INHIBITEUR DE HSP90-MÉDICAMENT

  摘要：

  本发明提供了Hsp90药物偶联物（HDCs），包括Hsp90配体或其前药、连接子基团和药物负载基团。该发明还提供了使用HDC治疗受试者的疾病或障碍的方法，例如癌症。

  公开号：

  WO2017151425A1

文献信息

• METHOD FOR INHIBITING TOPOISOMERASE II
  申请人：Du Zhenjian

  公开号：US20100249185A1

  公开（公告）日：2010-09-30

  The present invention relates to compounds that inhibit the activity of Hsp90 and inhibit topoisomerase II.

  本发明涉及抑制Hsp90活性和抑制拓扑异构酶II的化合物。
• Targeted therapeutics
  申请人：Madrigal Pharmaceuticals, Inc.

  公开号：US10117944B2

  公开（公告）日：2018-11-06

  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
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20170014519A1

  公开（公告）日：2017-01-19

  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.
• US8993608B2
  申请人：——

  公开号：US8993608B2

  公开（公告）日：2015-03-31