(3,3-Difluoroazetidin-1-yl)-[4-[1-(2,4-dihydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-3-fluorophenyl]methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3,3-Difluoroazetidin-1-yl)-[4-[1-(2,4-dihydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-3-fluorophenyl]methanone
• 英文别名: (3,3-difluoroazetidin-1-yl)-[4-[1-(2,4-dihydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-3-fluorophenyl]methanone
• 化学式: C₂₂H₂₁F₃N₂O₄
• 分子量: 434.4
• InChiKey: ZFGDKDIQZHXERV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• 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。
• PRE-SELECTION OF SUBJECTS FOR THERAPEUTIC TREATMENT WITH AN HSP90 INHIBITOR BASED ON HYPOXIC STATUS
  申请人：Vukovic Vojo

  公开号：US20150253330A1

  公开（公告）日：2015-09-10

  The present invention provides methods for the pre-selection of a subject for therapeutic treatment with an Hsp90 inhibitor based on modulated levels of hypoxia in cancerous cells in the subject. In one embodiment, the invention provides methods for the pre-selection of a subject for therapeutic treatment with an Hsp90 inhibitor based on modulated levels of lactate dehydrogenase (LDH) in a cell, e.g., a cancerous cell. The invention also provides methods for treating cancer in a subject by administering an effective amount of an Hsp90 inhibitor to the subject, wherein the subject has been selected based on a modulated level of hypoxia. The invention further provides kits to practice the methods of the invention.
• US9597343B2
  申请人：——

  公开号：US9597343B2

  公开（公告）日：2017-03-21
• US9956293B2
  申请人：——

  公开号：US9956293B2

  公开（公告）日：2018-05-01