13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

• 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: 13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
• 英文别名: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate
• 化学式: C₁₈H₂₂O₅S
• 分子量: 350.4
• InChiKey: JKKFKPJIXZFSSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• SYNTHESIS OF A MIXTURE OF SULFATED ESTROGENS USING A SULFUR TRIOXIDE COMPLEX
  申请人：Leonard W. Thomas

  公开号：US20070225512A1

  公开（公告）日：2007-09-27

  A process of producing a stable composition comprising a mixture of sulfated estrogens. The mixture of sulfated estrogens may comprise sulfated alkali metal salts of Δ 8,9 -dehydroestrone, estrone, and derivatives thereof or other estrogens. The process comprises the steps of sulfating such mixture of alkali metal salts of Δ 8,9 -dehydroestrone, estrone, and derivatives thereof with a sulfur trioxide complex and adding tris(hydroxymethyl)aminomethane.
• METHODS AND COMPOSITIONS FOR TREATING TRAUMA-HEMORRHAGE USING ESTROGEN AND DERIVATIVES THEREOF
  申请人：Chaudry Irshad

  公开号：US20070287684A1

  公开（公告）日：2007-12-13

  Disclosed are methods and materials for treating or preventing complications due to traumatic injuries using estrogen or derivatives thereof.
• Methods And Compositions For Treating Trauma-Hemorrhage Using Estrogen And Derivatives Thereof
  申请人：Chaudry Irshad H.

  公开号：US20110021981A1

  公开（公告）日：2011-01-27

  Disclosed are methods and materials for treating or preventing complications due to traumatic injuries using estrogen or derivatives thereof.
• Methods and Compositions for Treating Trauma-Hemorrhage Using Estrogen and Derivatives Thereof
  申请人：THE UAB RESEARCH FOUNDATION

  公开号：US20150352125A1

  公开（公告）日：2015-12-10

  Disclosed are methods and materials for treating or preventing complications due to traumatic injuries using estrogen or derivatives thereof.
• METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS
  申请人：SANNA Pietro Paolo

  公开号：US20170232007A1

  公开（公告）日：2017-08-17

  Disclosed are methods and compositions for treating alcohol dependence by administration to a patient of an inhibitor of 11β-hydroxysteroid dehydrogenases (11β-HSD) to modulate glucocorticoid effects. One such compound is the 11β-HSD inhibitor carbenoxolone (18β-glycyrrhetinic acid 3β-O-hemisuccinate), which has been extensively employed in the clinic for the treatment of gastritis and peptic ulcer. Carbenoxolone is active on both 11β-HSD1 and 2 isoforms. Here, carbenoxolone is surprisingly shown to reduce both baseline and excessive drinking in rats and mice. The carbenoxolone diastereomer 18α-glycyrrhetinic acid 3β-O-hemisuccinate (αCBX), which the applicants discovered to be selective for 11β-HSD2, was also effective in reducing alcohol drinking in mice. Thus, 11β-HSD inhibitors are a new class of candidate alcohol abuse medications and existing 11β-HSD inhibitor drugs may be re-purposed for alcohol abuse treatment.