(6α,11β,16α,17α)-17-({[(1-ethylpropyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid | 897927-55-8

• 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: (6α,11β,16α,17α)-17-({[(1-ethylpropyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid
• 英文别名: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentan-3-yloxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
• CAS: 897927-55-8
• 化学式: C₂₇H₃₆F₂O₇
• 分子量: 510.575
• InChiKey: KLLJKHVMPZGEML-OOSGJXQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (6α,11β,16α,17α)-17-({[(1-ethylpropyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid 、 溴氟甲烷 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 fluoromethyl-(6α,11β,16α,17α)-17-({[(1-ethylpropyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate
  参考文献：
  名称：

  WO2007/57152

  摘要：

  公开号：
• 作为产物：
  描述：

  1-ethylpropyl carbonochloridate 、 6,9-二氟-11,17-二羟基-16-甲基-3-氧代雄甾-1,4-二烯-17-羧酸 在 吡啶 、 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (6α,11β,16α,17α)-17-({[(1-ethylpropyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid
  参考文献：
  名称：

  WO2006/72599

  摘要：

  公开号：

文献信息

• ANDROSTANE 17-ALPHA-CARBONATE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC AND INFLAMMATORY CONDITIONS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1841780A2

  公开（公告）日：2007-10-10
• 17.BETA.-FLUOROMETHOXYCARBONYL-ANDROST-4-EN-3-ONE COMPOUNDS WITH A 17.ALPHA.-CARBONATE SUBSTITUENT
  申请人：GLAXO GROUP LIMITED

  公开号：EP1957512A1

  公开（公告）日：2008-08-20
• Androstane 17-Alpha Carbonate Derivatives for Use in the Treatment of Allergic and Inflammatory Conditions
  申请人：Biggadike Keith

  公开号：US20080182831A1

  公开（公告）日：2008-07-31

  The present invention is directed to compounds of formula (I): wherein R 1 represents C 4 -C 7 branched alkyl group, a bicycloalkyl group, or a C 5 -C 6 cycloalkyl which optionally may be substituted with a C 1 -C 4 alkyl group; R 2 represents hydrogen, a methyl group, which may be in either the α or β configuration, or a methylene group; R 3 and R 4 are the same or a different group and each independently represents hydrogen, halogen or a methyl group; represents a single or a double bond; and physiologically acceptable solvates thereof, physiologically functional derivatives thereof, pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.
• 17.Beta.-Fluoromethoxycarbonyl-Androst-4-En-3-One Compounds With a 17.Alpha.-Carbonate Sustituent
  申请人：Biggadike Keith

  公开号：US20080249077A1

  公开（公告）日：2008-10-09

  The present invention is directed to compounds of formula (I): wherein R 1 represents C 4 -C 7 branched chain alkyl, C 3 -C 8 cycloalkyl optionally substituted by one or more groups independently selected from C 1 -C 3 alkyl and methoxy, C 4 -C 6 cycloalkylmethyl wherein the methyl group is optionally substituted by a group selected from methyl or ethyl, or a bicycloalkyl group optionally substituted by one or more methyl groups; R 2 represents hydrogen, a methyl group, which may be in either the a or D configuration, or a methylene group; R 3 and R 4 are the same or a different group and each independently represents hydrogen, halogen or a methyl group; and represents a single or a double bond; physiologically acceptable solvates thereof, pharmaceutical compositions thereof, methods of treatment using such compounds, and processes for preparing such compounds.
• US7579335B2
  申请人：——

  公开号：US7579335B2

  公开（公告）日：2009-08-25