1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one
• 化学式: C₂₅H₂₉ClN₂O₇
• 分子量: 505.0
• InChiKey: WRVQFUJPCLPGOJ-IWCRAUHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  8

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。
• METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA
  申请人：Narain Niven Rajin

  公开号：US20140154266A1

  公开（公告）日：2014-06-05

  The invention provides methods of treatment of metabolic syndrome with HSP90 inhibitors, particularly HSP90β inhibitors. The invention provides methods of diagnosis and monitoring of metabolic syndrome using HSP90, particularly HSP90β, expression and activity level.
• US9533002B2
  申请人：——

  公开号：US9533002B2

  公开（公告）日：2017-01-03
• US9597343B2
  申请人：——

  公开号：US9597343B2

  公开（公告）日：2017-03-21