3,17-Dihydroxyestra-1,3,5(10)-trien-6-one | 571-92-6

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3,17-Dihydroxyestra-1,3,5(10)-trien-6-one
• 英文别名: 3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
• CAS: 571-92-6
• 化学式: C₁₈H₂₂O₃
• 分子量: 286.4
• InChiKey: ZHTDDOWJIRXOMA-UHFFFAOYSA-N

物化性质

• 熔点：
  281-283 °C
• 沸点：
  478.9±45.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 储存条件：
  室温

制备方法与用途

生物活性方面，6-Ketoestradiol 可用于合成含有 7α-取代的雌二醇复合物。

文献信息

• PROCESS FOR THE PREPARATION OF FULVESTRANT
  申请人：INTAS PHARMACEUTICALS LIMITED

  公开号：US20150291652A1

  公开（公告）日：2015-10-15

  The present invention relates to an improved process for the preparation of Fulvestrant (I). Also, provided is novel intermediate of Fulvestrant and a process for the preparation of the same.

  本发明涉及一种改进的富维司汀（I）制备方法。同时提供了富维司汀的新型中间体和其制备方法。
• COMPOUNDS&METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS&OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE
  申请人：Yale University

  公开号：EP2802608A2

  公开（公告）日：2014-11-19
• US9315540B2
  申请人：——

  公开号：US9315540B2

  公开（公告）日：2016-04-19
• [EN] COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION AMÉLIORÉE DE PROTÉINES CIBLES ET D'AUTRES POLYPEPTIDES PAR UNE E3 UBIQUITINE LIGASE
  申请人：UNIV YALE

  公开号：WO2013106643A2

  公开（公告）日：2013-07-18

  The present invention relates to bifunctional compounds, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.