17α-butoxycarbonyloxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylic acid | 82034-16-0

• 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: 17α-butoxycarbonyloxy-11β-hydroxyandrost-4-en-3-one-17β-carboxylic acid
• 英文别名: (8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
• CAS: 82034-16-0
• 化学式: C₂₅H₃₆O₇
• 分子量: 448.557
• InChiKey: GWQWVFXGEXLNAO-YVRDLUAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] NITROXY DERIVATIVES OF SOFT STEROIDS<br/>[FR] DÉRIVÉS NITROXY DE STÉROÏDES DOUX
  申请人：BAUSCH & LOMB

  公开号：WO2013133980A1

  公开（公告）日：2013-09-12

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, and an ophthalmic composition comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof. The invention is also directed to the use of the ophthalmic compositions for treating inflammatory conditions of the palpebral or bulbar conjunctiva, cornea and anterior segment of the globe, and to ameliorate inflammation associated with corneal injury.

  一种具有化学式（I）的化合物或其药用可接受的盐，以及包含具有化学式（I）的化合物或其药用可接受的盐的眼科组合物。本发明还涉及将眼科组合物用于治疗睑板或球结膜、角膜和眼球前节的炎症病症，以及缓解与角膜损伤相关的炎症。
• 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：EP1653974A1

  公开（公告）日：2006-05-10
• ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SELECTED ANTI-INFLAMMATORY STEROIDS
  申请人：BODOR, Nicholas S.

  公开号：EP1658083A1

  公开（公告）日：2006-05-24
• 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 soft anti-inflammatory steroids for topical or other local application
  申请人：Bodor S. Nicholas

  公开号：US20050026892A1

  公开（公告）日：2005-02-03

  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 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.