1,3,17β-Trihydroxy-Δ^1,3,5(10)-oestratrien | 4147-05-1

• 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: 1,3,17β-Trihydroxy-Δ^1,3,5(10)-oestratrien
• 英文别名: 1,3,17β-Trihydroxy-oestratrien-(1,3,5(10))；1-Hydroxyestradiol；(8S,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,3,17-triol
• CAS: 4147-05-1
• 化学式: C₁₈H₂₄O₃
• 分子量: 288.387
• InChiKey: BSBWEXLXIOSMDG-PEEYHIECSA-N

物化性质

• 沸点：
  490.1±44.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Acetic acid 17-acetoxy-13-methyl-3-oxo-3,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-10-yl ester 在 lithium aluminium tetrahydride 、 三氟乙酸酐 作用下， 生成 1,3,17β-Trihydroxy-Δ^1,3,5(10)-oestratrien
  参考文献：
  名称：

  Hecker,E., Chemische Berichte, 1964, vol. 97, p. 1940 - 1951

  摘要：

  DOI：

文献信息

• Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally
  申请人：——

  公开号：US20040223983A1

  公开（公告）日：2004-11-11

  The invention relates to pharmaceutical preparations that contain at least one emulsifier, at least one auxiliary emulsifier and/or solvent as well as at least one lipid, characterized in that the mass ratio of emulsifier to auxiliary emulsifier and/or solvent (Smix) is 1:1 to 9:1 and the total lipid proportion is >0% (m/m), whereby this preparation at least partially inhibits at least one intestinal enzyme and/or at least one intestinal efflux system. These preparations can be used to increase the bioavailability of pharmaceutical substances that are lipophilic and/or substrates of intestinal metabolizing enzymes and/or intestinal efflux systems, especially steroids.

  本发明涉及含有至少一种乳化剂、至少一种辅助乳化剂和/或溶剂以及至少一种脂质的药物制剂，其特征在于乳化剂与辅助乳化剂和/或溶剂（Smix）的质量比为1:1至9:1，总脂质比例大于0%（m/m），从而该制剂至少部分抑制至少一种肠道酶和/或至少一种肠道外流系统。这些制剂可用于提高亲脂性和/或肠道代谢酶和/或肠道外排系统底物的药物物质（尤其是类固醇）的生物利用度。
• Steroid sulphatase inhibitors
  申请人：Reed John Michael

  公开号：US20070021624A1

  公开（公告）日：2007-01-25

  A method of inhibiting steroid sulphatase activity in a subject in need of same is described. The method comprises administering to said subject a steroid sulphatase inhibiting amount of a ring system compound; which ring system compound comprises a ring to which is attached a sulphamate group of the formula wherein each of R 1 and R 2 is independently selected from H, alkyl, alkenyl, cycloalkyl and aryl, or together represent alkylene optionally containing one or more hetero atoms or groups in the alkylene chain; and wherein said compound is an inhibitor of an enzyme having steroid sulphatase activity (E.C.3.1.6.2); and if the sulphamate group of said compound is replaced with a sulphate group to form a sulphate compound and incubated with a steroid sulphatase enzyme (E.C.3.1.6.2) at a pH 7.4 and 37° C. it would provide a K m value of less than 50 μM.
• US3965124A
  申请人：——

  公开号：US3965124A

  公开（公告）日：1976-06-22
• US3976701A
  申请人：——

  公开号：US3976701A

  公开（公告）日：1976-08-24
• US3998847A
  申请人：——

  公开号：US3998847A

  公开（公告）日：1976-12-21