3α,11β,17α,21-Tetrahydroxy-5β-pregnan-20-on | 53-02-1

• 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: 3α,11β,17α,21-Tetrahydroxy-5β-pregnan-20-on
• 英文别名: Tetrahydrocortisol；3α-Hydroxy-5β-tetrahydro-cortisol；2-hydroxy-1-[(3R,5R,10S,11S,13S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 53-02-1；302-91-0；651-43-4；15734-50-6；72051-58-2；80735-80-4；95118-71-1；95908-57-9
• 化学式: C₂₁H₃₄O₅
• 分子量: 366.498
• InChiKey: AODPIQQILQLWGS-QZDGUMBLSA-N

物化性质

• 熔点：
  253-255°C
• 比旋光度：
  D21 +59.7° (c = 0.34 in methanol)
• 溶解度：
  乙醇（微溶，超声处理），甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37
• 危险品运输编号：
  UN 2056 3/PG 2
• RTECS号：
  LU5950000

制备方法与用途

生物活性

Allotetrahydrocortisol（5a- Tetrahydrocortisol）是一种皮质醇的代谢产物。皮质醇是人体主要的糖皮质激素，在肾上腺皮质产生，对许多生理过程起着至关重要的作用。

目标

Human Endogenous Metabolite

Allotetrahydrocortisol（5a- Tetrahydrocortisol）是一种天然的C21动物甾体，其3-羟基集团具有特定的空间构型。

体外研究

Allotetrahydrocortisol（5a- Tetrahydrocortisol）是一种自然产生的C21动物甾体，其3-羟基集团具有特定的空间构型。

文献信息

• Method of evaluating adrenal steroids in saliva collected by cotton swab
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US11360105B2

  公开（公告）日：2022-06-14

  The present invention relates to a method for evaluating metabolic activity based on the concentrations of cortisol and its precursors and metabolites thereof in saliva collected by a swab for the measurement of adrenal steroids relating to biochemical stress evaluation and more particularly, to a method of comparing metabolic activity of physiologically different adrenal steroids by analyzing adrenal steroids including cortisol and cortisone extracted from a trace amount of saliva by mass spectrometry and evaluating the metabolic ratio between the two compounds as well as the absolute amount of each compound. Accordingly, the present invention can be utilized as an index for evaluating response to biochemical stress and related diseases by measuring the amounts of adrenal steroids including cortisol and cortisone in a trace amount of saliva collected with a swab.

  本发明涉及一种根据拭子收集的唾液中皮质醇及其前体和代谢物的浓度来评估代谢活性的方法，用于测量与生化压力评估有关的肾上腺类固醇，更具体地说、通过质谱法分析从痕量唾液中提取的肾上腺类固醇（包括皮质醇和可的松），评估两种化合物之间的代谢比率以及每种化合物的绝对量，从而比较生理上不同的肾上腺类固醇的代谢活性的方法。因此，本发明通过测量用拭子收集的微量唾液中肾上腺类固醇（包括皮质醇和可的松）的含量，可用作评估对生化压力和相关疾病反应的指标。
• METHOD OF EVALUATING ADRENAL STEROIDS IN SALIVA COLLECTED BY COTTON SWAB
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20200141952A1

  公开（公告）日：2020-05-07

  The present invention relates to a method for evaluating metabolic activity based on the concentrations of cortisol and its precursors and metabolites thereof in saliva collected by a swab for the measurement of adrenal steroids relating to biochemical stress evaluation and more particularly, to a method of comparing metabolic activity of physiologically different adrenal steroids by analyzing adrenal steroids including cortisol and cortisone extracted from a trace amount of saliva by mass spectrometry and evaluating the metabolic ratio between the two compounds as well as the absolute amount of each compound. Accordingly, the present invention can be utilized as an index for evaluating response to biochemical stress and related diseases by measuring the amounts of adrenal steroids including cortisol and cortisone in a trace amount of saliva collected with a swab.