72205-58-4 Usage
Description
5-Pregnan-3α,21-diol-20-one-17α,D3, also known as 5β-Pregnan-3α,21-diol-20-one-17α,21,21-d3, is an isotopically labeled research compound derived from the pregnane class of steroidal compounds. It is characterized by its unique molecular structure, which includes a 3α-hydroxyl group, a 21-hydroxyl group, and a 20-one group. The presence of deuterium (D3) at the 21st position distinguishes it from its non-isotopic counterparts. 5-Pregnan-3a,21-diol-20-one-17a,d3 is widely utilized in various research applications due to its stable isotopic labeling, which allows for enhanced detection and tracking in biological systems.
Uses
Used in Pharmaceutical Research:
5-Pregnan-3α,21-diol-20-one-17α,D3 is used as a research compound for pharmaceutical applications, particularly in the development and testing of new drugs targeting the endocrine and reproductive systems. Its isotopic labeling enables researchers to study the compound's pharmacokinetics, pharmacodynamics, and metabolism in vivo, providing valuable insights into its potential therapeutic effects and safety profile.
Used in Steroid Metabolism Studies:
In the field of endocrinology, 5-Pregnan-3α,21-diol-20-one-17α,D3 serves as a valuable tool for investigating the metabolism of steroid hormones. Its isotopic labeling allows researchers to track the compound's metabolic pathways and identify key enzymes and metabolic intermediates involved in its conversion to other biologically active compounds.
Used in Analytical Chemistry:
5-Pregnan-3α,21-diol-20-one-17α,D3 is employed as an internal standard or reference compound in analytical chemistry, particularly in mass spectrometry and chromatography. Its stable isotopic labeling provides a reliable means of quantifying and validating the results obtained from the analysis of endogenous steroidal compounds in biological samples.
Used in Drug Development:
In the drug development industry, 5-Pregnan-3α,21-diol-20-one-17α,D3 is used as a lead compound for the design and synthesis of novel therapeutic agents targeting various diseases and conditions. Its unique molecular structure and isotopic labeling make it an attractive starting point for the development of new drugs with improved efficacy, selectivity, and safety profiles.
Used in Toxicology Studies:
5-Pregnan-3α,21-diol-20-one-17α,D3 is utilized in toxicology research to evaluate the potential toxic effects of steroidal compounds on various organ systems. Its isotopic labeling allows for the accurate measurement of the compound's distribution, accumulation, and elimination in animal models, providing valuable information on its toxicokinetics and potential risks to human health.
Check Digit Verification of cas no
The CAS Registry Mumber 72205-58-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,2,0 and 5 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 72205-58:
(7*7)+(6*2)+(5*2)+(4*0)+(3*5)+(2*5)+(1*8)=104
104 % 10 = 4
So 72205-58-4 is a valid CAS Registry Number.
72205-58-4Relevant articles and documents
Stereochemistry of hydrogen loss during C-21 dehydroxylation of tetrahydrodeoxycorticosterone by Eubacterium lentum
Holland, Herbert L.,Ninniss, Ronald W.,Brown, Frances M.
, p. 1590 - 1595 (2007/10/02)
The loss of hydrogen from the C-21 position of 5β-pregnane-3α,21-diol-20-one (tetrahydrodeoxycorticosterone, THDOC) during reductive removal of the 21-hydroxy group by the anaerobic bacterium Eubacterium lentum has been shown to be selective for the pro-S position by the use of THDOC labelled with deuterium at the C-21 pro-S and C-21 pro-R positions.The labelled substrates were obtained by using the bacterium Clostridium paraputrificum to reduce chemically prepared C-21 labelled samples of pregn-4-en-21-ol-3,20-dione (deoxycorticosterone, DOC) at C-3 and C-4 (5).The stereochemistry of deuterium label introduced by chemical means at C-21 of DOC was determined by comparison with a sample of 21-(R)-DOC-21-d1 produced by reduction of the corresponding aldehyde pregn-4-en-21-al-3,20-dione, 21-d by the enzyme 21-hydroxysteroid NAD oxidoreductase from beef liver. Key words: Eubacterium, Clostridium, steroids, tetrahydrodeoxycorticosteroids.
