cortexolone 17α,21-dibutyrate | 496942-79-1

• 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: cortexolone 17α,21-dibutyrate
• 英文别名: 17α,21-dibutanoyloxy-pregna-4-ene-3,20-dione；[2-[(8R,9S,10R,13S,14S,17R)-17-butanoyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
• CAS: 496942-79-1
• 化学式: C₂₉H₄₂O₆
• 分子量: 486.649
• InChiKey: WAGUJJUFMGQQOY-APKWJLQYSA-N

物化性质

• 沸点：
  586.3±50.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cortexolone 17α,21-dibutyrate 在 Candida cylandracea lipase 作用下， 以 甲苯 、 正丁醇 为溶剂， 反应 24.0h， 生成 cortexolone 17α-butyrate
  参考文献：
  名称：

  Lipase-catalyzed preparation of corticosteroid 17α-esters endowed with antiandrogenic activity

  摘要：

  Several 17 alpha-monoesters of cortexolone and its Delta(9)-derivative are endowed with antiandrogenic activity. Their synthesis can be accomplished by means of a lipase-catalyzed chemoselective alcoholysis of the corresponding 17 alpha,21-diesters. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.086
• 作为产物：
  描述：

  丁酸酐 、 脱氧可的松 在 对甲苯磺酸 作用下， 以 various solvent(s) 为溶剂， 生成 cortexolone 17α,21-dibutyrate
  参考文献：
  名称：

  Lipase-catalyzed preparation of corticosteroid 17α-esters endowed with antiandrogenic activity

  摘要：

  Several 17 alpha-monoesters of cortexolone and its Delta(9)-derivative are endowed with antiandrogenic activity. Their synthesis can be accomplished by means of a lipase-catalyzed chemoselective alcoholysis of the corresponding 17 alpha,21-diesters. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.086

文献信息

• 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS
  申请人：COSMO S.P.A.

  公开号：US20140154306A1

  公开（公告）日：2014-06-05

  17α,21-Dihydroxypregna-4,9-diene-3,20-dione and 17α,21-dihydroxypregna-4-ene-3,20-dione 17 and/or 21 esters of having remarkable antiandrogenic activity, and the processes for the preparation thereof.

  17α,21-二羟基孕酮-4,9-二烯-3,20-二酮和17α,21-二羟基孕酮-4-烯-3,20-二酮17和/或21酯类，具有显著的抗雄激素活性，并且具有制备它们的过程。
• 17 Alpha, 21-Dihydroxypregnene Esters as Antiandrogenic Agents
  申请人：COSMO DERMATOS SRL

  公开号：US20150216878A1

  公开（公告）日：2015-08-06

  17α,21 -Dihydroxypregna-4,9(11)-diene-3,20-dione and 17α,21-dihydroxypregna-4-ene-3,20-dione 17 and/or 21 esters having remarkable antiandrogenic activity and processes for the preparation thereof.

  17α,21-二羟孕酮-4,9(11)-二烯-3,20-二酮和17α,21-二羟孕酮-4-烯-3,20-二酮17和/或21酯具有显著的抗雄激素活性，以及制备它们的方法。
• CORTEXOLONE 17 -PROPIONATE FOR USE IN THE TREATMENT OF SKIN WOUNDS AND/OR ATROPHIC SKIN DISORDERS
  申请人：Cosmo Technologies Ltd

  公开号：EP3082825A1

  公开（公告）日：2016-10-26
• CORTEXOLONE 17alpha-PROPIONATE FOR USE IN THE TREATMENT OF SKIN WOUNDS AND/OR ATROPHIC SKIN DISORDERS
  申请人：CASSIOPEA S.P.A.

  公开号：US20160303141A1

  公开（公告）日：2016-10-20

  The present invention provides cortexolone 17a-propionate for use in the treatment of skin wounds and/or of atrophic skin disorders. The present invention also provides pharmaceutical or cosmetic compositions comprising cortexolone 17a-propionate for use in the treatment of skin wounds and/or of atrophic skin disorders.
• US8865690B2
  申请人：——

  公开号：US8865690B2

  公开（公告）日：2014-10-21