Androsta-1,4-diene-17-carboxylic acid, 17-(2-chloro-1-oxopropoxy)-11-hydroxy-3-oxo-, ethyl ester, (11beta,17alpha)- | 1019779-08-8

• 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: Androsta-1,4-diene-17-carboxylic acid, 17-(2-chloro-1-oxopropoxy)-11-hydroxy-3-oxo-, ethyl ester, (11beta,17alpha)-
• 英文别名: ethyl (8S,9S,10R,11S,13S,14S,17S)-17-(2,2-dichloroacetyl)oxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
• CAS: 1019779-08-8
• 化学式: C₂₄H₃₀Cl₂O₆
• 分子量: 485.4
• InChiKey: QAIOVDNCIZSSSF-LQCPAYEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Potent soft anti-inflammatory corticosteroid compounds and uses thereof
  申请人：Bodor Laboratories, Inc.

  公开号：US11447522B2

  公开（公告）日：2022-09-20

  Potent soft corticosteroid pharmaceutical compositions comprising them and method for use as anti-inflammatory agents. Also, a method for softening fluticasone propionate and similar corticosteroids to arrive at potent but safer alternatives. The compound 5-fluoromethyl 17α-dichloroacetoxy-6α,9α-difluoro-11β-hydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17β-carbothioate, which is equally potent to but safer than fluticasone, is among those provided. Another compound of particular interest is 2-hydroxyethyl 17α-dichloroacetoxy-6α,9α-difluoro-11β-hydroxy-16β-methyl-3-oxoandrosta-1,4-diene-17β-carboxylate.

  由其组成的强效软皮质类固醇药物组合物以及用作消炎剂的方法。此外，还有一种软化丙酸氟替卡松和类似皮质类固醇的方法，以获得强效但更安全的替代品。所提供的化合物包括 5-氟甲基 17α-二氯乙酰氧基-6α,9α-二氟-11β-羟基-16a-甲基-3-氧代雄甾烷-1,4-二烯-17β-硫代碳酸酯，其药效与氟替卡松相同，但比氟替卡松更安全。另一种特别值得关注的化合物是 17α-二氯乙酰氧基-6α,9α-二氟-11β-羟基-16β-甲基-3-氧代雄酮-1,4-二烯-17β-羧酸 2-羟乙基酯。
• POTENT SOFT ANTI-INFLAMMATORY CORTICOSTEROID COMPOUNDS AND USES THEREOF
  申请人：Bodor Laboratories, Inc.

  公开号：EP3638249A1

  公开（公告）日：2020-04-22
• [EN] POTENT SOFT ANTI-INFLAMMATORY CORTICOSTEROID COMPOUNDS AND USES THEROF<br/>[FR] COMPOSÉS CORTICOSTÉROÏDES ANTI-INFLAMMATOIRES DOUX PUISSANTS ET LEURS UTILISATIONS
  申请人：BODOR LABORATORIES INC

  公开号：WO2018232007A1

  公开（公告）日：2018-12-20

  Potent soft corticosteroid pharmaceutical compositions comprising them and method for use as anti-inflammatory agents. Also, a method for softening fluticasone propionate and similar corticosteroids to arrive at potent but safer alternatives. The compound S-fluoromethyl 17α-dichloroacetoxy-6α,9α-difluoro-11β-hydroxy-16a- methyl-3-oxoandrosta-1,4-diene-17β-carbothioate, which is equally potent to but safer than fluticasone, is among those provided. Another compound of particular interest is 2-hydroxyethyl 17α-dichloroacetoxy-6α,9α-difluoro-11β-hydroxy-16β- methyl-3-oxoandrosta-1,4-diene-17β-carboxylate.