(17S)-17-acetyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbaldehyde

• 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: (17S)-17-acetyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbaldehyde
• 化学式: C₂₂H₂₈O₃
• 分子量: 340.5
• InChiKey: UGJJJHPLZGDMTE-KIIRVTSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Transporter enhanced corticosteroid activity
  申请人：Bodor S. Nicholas

  公开号：US20080004246A1

  公开（公告）日：2008-01-03

  Methods and compositions for enhancing the activity and/or duration of action of loteprednol etabonate and other soft anti-inflammatory steroids of the haloalkyl 17α-alkoxycarbonyloxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylate type and the corresponding Δ 1,4 -compounds are described. The enhancing agents have the formula: wherein Z 1 is carbonyl, β-hydroxymethylene or methylene; R 2 is H, —OH or —OCOR 3 wherein R 3 is C 1 -C 5 alkyl; Y is —OH, —SH or —OCOR 4 wherein R 4 is C 1 -C 5 alkyl, cyclopentylethyl or diethylaminoethyl; and the dotted line in ring A indicates that the 1,2-linkage is saturated or unsaturated.
• TRANSPORTER-ENHANCED CORTICOSTEROID ACTIVITY AND METHODS AND COMPOSITIONS FOR TREATING DRY EYE
  申请人：Bodor Nicholas S.

  公开号：US20080194468A1

  公开（公告）日：2008-08-14

  Methods and compositions for enhancing the activity and/or duration of action of loteprednol etabonate and other soft anti-inflammatory steroids of the haloalkyl 17α-alkoxycarbonyloxy-11β-hydroxyandrost-4-cn-3-one-17β-carboxylate type and the corresponding Δ 1,4 -compounds are described. The enhancing agents have the formula: wherein Z 1 is carbonyl, β-hydroxymethylene or methylene; R 2 is H, —OH or —OCOR 3 wherein R 3 is C 1-5 alkyl; Y is —OH, —SH or —OCOR 4 wherein R 4 is C 1-5 alkyl, cyclopentylethyl or diethylaminoethyl; and the dotted line in ring A indicates that the 1,2-linkage is saturated or unsaturated. Ophthalmic administration in the treatment of dry eye is specifically targeted.
• ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SOFT ANTI-INFLAMMATORY STEROIDS FOR TOPICAL OR OTHER LOCAL APPLICATION
  申请人：Bodor Nicholas S.

  公开号：US20090239833A1

  公开（公告）日：2009-09-24

  Methods and compositions for enhancing the activity and/or duration of action of loteprednol etabonate and other soft anti-inflammatory steroids of the haloalkyl 17α-alkoxycarbonyloxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylate type and the corresponding Δ 1,4 -compounds are described. The enhancing agents have the formula: wherein R is H or C 1 -C 4 alkyl; Z 1 is carbonyl or β-hydroxymethylene; X 1 is —O— or —S—; R 5 is —OH, —OR 6 , —OCOOR 6 or —OCOR 7 wherein R 6 is C 1 -C 4 alkyl and R 7 is C 1 -C 4 alkyl, fluoromethyl or chloromethyl; and the dotted line in ring A indicates that the 1,2-linkage is saturated or unsaturated; with the proviso that when R is C 1 -C 4 alkyl, then R 5 is —OH.
• US7560448B2
  申请人：——

  公开号：US7560448B2

  公开（公告）日：2009-07-14
• US7687484B2
  申请人：——

  公开号：US7687484B2

  公开（公告）日：2010-03-30