4-Pregnen-17α,20β-diol-3-one - ≥96% , CAS No.1662-06-2

CAS: 1662-06-2 Cat. No.: P336943 Molecular Weight: 332.48 PubChem CID: 107701

GRADE & PURITY ≥96%

Synonyms

17,20beta-dihydroxypregn-4-en-3-one | 17-DHP | Pregn-4-en-3-one, 17,20-dihydroxy-, (20R)- | SCHEMBL7063502 | 17??,20??-Dihydroxy-4-pregnen-3-one | 17alpha,20beta-Dihydroxy-4-pregnen-3-one, crystalline | J-010264 | 17alpha, 20beta-DIHYDROXYPROGESTERONE | 1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-Pregnen-17α,20β-diol-3-one is a C-21 steroid hormone that supports embryogenesis in various species. It has been demonstrated to aid in the development of the fetus by raising EGF-1 levels, regulating the immune response and numerous other effects.

Application

4-Pregnen-17α,20β-diol-3-one (cas# 1662-06-2) is a derivative of 17α-Hydroxy Progesterone (H952330), which is a metabolite of Progesterone (P755900). It can also be used as an antagonist of cb1 receptor for therapeutic use.

Specifications

Synonyms

17, 20beta-dihydroxypregn-4-en-3-one | 17-DHP | Pregn-4-en-3-one, 17, 20-dihydroxy-, (20R)- | SCHEMBL7063502 | 17??, 20??-Dihydroxy-4-pregnen-3-one | 17alpha, 20beta-Dihydroxy-4-pregnen-3-one, crystalline | J-010264 | 17alpha, 20beta-DIHYDROXYPROGESTERONE | 1

Specifications & Purity

≥96%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504756627
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756627
• Canonical Smiles: CC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O
• IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• InChIKey: MASCESDECGBIBB-FSHQYNQFSA-N
• INCHI: 1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16-,17+,18+,19+,20+,21+/m1/s1
• Isomeric SMILES: C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
• WGK Germany: 3
• PubChem CID: 107701
• Molecular Weight: 332.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Pregnane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - 1,2-diol - Cyclic ketone - Secondary alcohol - Ketone - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• External Descriptors: C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Light sensitive
• Boil Point(°C): ~487.1° C at 760 mmHg (Predicted)
• Melt Point(°C): 201-203° C
• Molecular Weight: 332.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 332.235 Da
• Monoisotopic Mass: 332.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1