chloromethyl 11β-hydroxy-17α-methoxy-androsta-1,4-diene-3-one-17β-carboxylate | 115841-26-4

• 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: chloromethyl 11β-hydroxy-17α-methoxy-androsta-1,4-diene-3-one-17β-carboxylate
• 英文别名: chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-methoxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
• CAS: 115841-26-4
• 化学式: C₂₂H₂₉ClO₅
• 分子量: 408.922
• InChiKey: UIIGSCGUJPVJOH-DCJXKKNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  11β-hydroxy-17α-methoxy-androsta-1,4-diene-3-one-17β-carboxylic acid 、 氯碘甲烷 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 生成 chloromethyl 11β-hydroxy-17α-methoxy-androsta-1,4-diene-3-one-17β-carboxylate
  参考文献：
  名称：

  Soft steroids having anti-inflammatory activity

  摘要：

  一种新型软性类固醇抗炎剂，该剂为17α-烷氧基-11β-羟基雄甾-4-烯-3-酮-17β-羧酸酯或硫酯，含有该剂的制药组合物，用于制备该剂的新型化学中间体以及在治疗炎症中向哺乳动物施用该剂的方法。优选的化合物是17α-烷氧基-11β-羟基雄甾-4-烯-3-酮-17β-羧酸的卤代烷基酯。

  公开号：

  US04710495A1

文献信息

• SOFT STEROIDS HAVING ANTI-INFLAMMATORY ACTIVITY
  申请人：BODOR, Nicholas S.

  公开号：EP0334853B1

  公开（公告）日：1993-06-09
• EP0334853A4
  申请人：——

  公开号：EP0334853A4

  公开（公告）日：1990-02-26
• ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SELECTED ANTI-INFLAMMATORY STEROIDS
  申请人：BODOR, Nicholas S.

  公开号：EP1658083B1

  公开（公告）日：2007-08-08
• Enhancement of activity and/or duration of action of selected anti-inflammatory steroids for topical or other local application
  申请人：Bodor S. Nicholas

  公开号：US20050020551A1

  公开（公告）日：2005-01-27

  Methods and compositions for enhancing the activity and/or duration of action of soft anti-inflammatory steroids of the haloalkyl 17α-alkoxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylate type and the corresponding Δ 1,4 compounds and of anti-inflammatory steroids of the hydrocortisone and prednisolone type 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.
• ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SELECTED ANTI-INFLAMMATORY STEROIDS FOR TOPICAL OR OTHER LOCAL APPLICATION
  申请人：Bodor Nicholas S.

  公开号：US20080261930A1

  公开（公告）日：2008-10-23

  Methods and compositions for enhancing the activity and/or duration of action of soft anti-inflammatory steroids of the haloalkyl 17α-alkoxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylate type and the corresponding Δ 1,4 compounds and of anti-inflammatory steroids of the hydrocortisone and prednisolone type 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.