11-Dehydrocorticosterone - Moligand™, ≥95% , CAS No.72-23-1

CAS: 72-23-1 Cat. No.: D650070 Molecular Weight: 344.44 PubChem CID: 5311364

GRADE & PURITY Moligand™, ≥95%

Synonyms

(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione | UNII-FO4V44A3G3 | Delta(4)-pregnen-21-ol-3,11,20-trione | MS-25291 | Dehydrocorticosterone | DEHYDROCORTICOSTERON [WHO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

11-Dehydrocorticosterone is a endogenous corticosteroid. 11-Dehydrocorticosterone can be a source of transcriptionally active glucocorticoid in cardiac myocytes and fibroblasts. 11-Dehydrocorticosterone can increase SGK mRNA expression in cardiac fibroblast

Form:Solid

IC50& Target:Human Endogenous Metabolite

Specifications

Synonyms

(8S, 9S, 10R, 13S, 14S, 17S)-17-(2-hydroxyacetyl)-10, 13-dimethyl-2, 6, 7, 8, 9, 12, 14, 15, 16, 17-decahydro-1H-cyclopenta[a]phenanthrene-3, 11-dione | UNII-FO4V44A3G3 | Delta(4)-pregnen-21-ol-3, 11, 20-trione | MS-25291 | Dehydrocorticosterone | DEHYDROCORTICOSTERON [WHO

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

11-Dehydrocorticosterone is a endogenous corticosteroid. 11-Dehydrocorticosterone can be a source of transcriptionally active glucocorticoid in cardiac myocytes and fibroblasts. 11-Dehydrocorticosterone can increase SGK mRNA expression in cardiac fibrobla

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C
• IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
• InChIKey: FUFLCEKSBBHCMO-KJQYFISQSA-N
• INCHI: 1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C
• PubChem CID: 5311364
• Molecular Weight: 344.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-oxo delta-4-steroids 11-oxosteroids Delta-4-steroids Cyclohexenones Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - 11-oxosteroid - Delta-4-steroid - Cyclohexenone - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
• External Descriptors: 3-oxo Delta(4)-steroid - 20-oxo steroid - corticosteroid - 11-oxo steroid - 21-hydroxy steroid

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 344.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 344.199 Da
• Monoisotopic Mass: 344.199 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 677.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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