9-fluoro-11β,21-dihydroxy-16α,17-((Ξ)-1-phenyl-ethylLiDenedioxy)-pregna-1,4-diene-3,20-dione | 3092-82-8

• 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: 9-fluoro-11β,21-dihydroxy-16α,17-((Ξ)-1-phenyl-ethylLiDenedioxy)-pregna-1,4-diene-3,20-dione
• 英文别名: 9-Fluor-11β,21-dihydroxy-16α,17-((Ξ)-1-phenyl-aethylidendioxy)-pregna-1,4-dien-3,20-dion；Tricinolone acetophenonide；(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
• CAS: 3092-82-8
• 化学式: C₂₉H₃₃FO₆
• 分子量: 496.576
• InChiKey: HCKFPALGXKOOBK-ZPHQKVKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  曲安西龙 在 高氯酸 、 苯乙酮 作用下， 生成 9-fluoro-11β,21-dihydroxy-16α,17-((Ξ)-1-phenyl-ethylLiDenedioxy)-pregna-1,4-diene-3,20-dione
  参考文献：
  名称：

  CYCLIC 16α,17α-KETALS AND ACETALS OF 9α-FLUORO-16α-HYDROXY-CORTISOL AND -PREDNISOLONE

  摘要：

  DOI：

  10.1021/ja01542a083

文献信息

• Compounds and Methods of Use Thereof for Treating Tumors
  申请人：Georgetown University

  公开号：US20150344440A1

  公开（公告）日：2015-12-03

  The invention encompasses novel compounds and pharmaceutically acceptable salts thereof and compositions including therapeutically or prophylactically effective amounts of such compounds or pharmaceutically acceptable salts thereof. The invention also encompasses methods for treating or preventing diseases and disorders associated with abnormal cell growth, for example, treating or preventing cancer or tumor growth, which methods include administering to a mammal in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound of the invention or a pharmaceutically acceptable salt thereof.
• US9695108B2
  申请人：——

  公开号：US9695108B2

  公开（公告）日：2017-07-04
• [EN] COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING TUMORS<br/>[FR] COMPOSÉS ET LEURS PROCÉDÉS D'UTILISATION POUR TRAITER DES TUMEURS
  申请人：UNIV GEORGETOWN

  公开号：WO2014032019A2

  公开（公告）日：2014-02-27

  The invention encompasses novel compounds and pharmaceutically acceptable salts thereof and compositions including therapeutically or prophylactically effective amounts of such compounds or pharmaceutically acceptable salts thereof. The invention also encompasses methods for treating or preventing diseases and disorders associated with abnormal cell growth, for example, treating or preventing cancer or tumor growth, which methods include administering to a mammal in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound of the invention or a pharmaceutically acceptable salt thereof.
• CYCLIC 16α,17α-KETALS AND ACETALS OF 9α-FLUORO-16α-HYDROXY-CORTISOL AND -PREDNISOLONE
  作者：Josef Fried、Aleck Borman、Woodrow B. Kessler、Paul Grabowich、Emily F. Sabo

  DOI：10.1021/ja01542a083

  日期：1958.5