18-Oxocortisol - Moligand™, ≥97% , CAS No.2410-60-8

CAS: 2410-60-8 Cat. No.: O646941 Formule: C₂₁H₂₈O₆ Poids moléculaire: 376.44 PubChem CID: 123712

GRADE & PURITY Moligand™, ≥97%

Synonyms

11beta,17alpha,21-Trihydroxy-3,20-diketo-4-pregnene-18-al | SCHEMBL144490 | (8S,9S,10R,11S,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde | (11b)-11,17,21-T

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

18-Oxocortisol is a derivative of cortisol that is produced by aldosterone synthase (CYP11B2). 18-Oxocortisol is a naturally occurring mineralocorticoid agonist. 18-Oxocortisol is a biomarker in adrenal vein sampling .

In Vivo

Administration of 18-oxocortisol to rats induces a mineralocorticoid-type hypertension with hypokalemia, cardiac and renal enlargement and cardiovascular lesions. Administration of 18-oxocortisol to sheep also causes a rapid increase in blood pressure. However, the doses required for increasing blood pressure are high.

Form:Solid

Specifications

Synonymes

11beta,17alpha,21-Trihydroxy-3,20-diketo-4-pregnene-18-al | SCHEMBL144490 | (8S,9S,10R,11S,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde | (11b)-11,17,21-T

Spécifications et pureté

Moligand™, ≥97%

Mécanismes biochimiques et physiologiques

18-Oxocortisol is a derivative of cortisol that is produced by aldosterone synthase (CYP11B2). 18-Oxocortisol is a naturally occurring mineralocorticoid agonist. 18-Oxocortisol is a biomarker in adrenal vein sampling.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C=O)O
• IUPAC Name: (8S,9S,10R,11S,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
• InChIKey: XUQWWIFROYJHCU-UKSDXMLSSA-N
• INCHI: 1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
• Isomères SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C=O)O
• PubChem CID: 123712
• Poids moléculaire: 376.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Oxosteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Oxosteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 20-oxosteroids
• Alternative Parents: Estrogens and derivatives 3-oxo delta-4-steroids 17-hydroxysteroids 11-beta-hydroxysteroids Delta-4-steroids Diterpenoids Long-chain fatty alcohols Cyclohexenones Monosaccharides Beta-hydroxy aldehydes Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 20-oxosteroid - Diterpenoid - Estrogen-skeleton - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Long chain fatty alcohol - Fatty alcohol - Cyclohexenone - Fatty acyl - Monosaccharide - Beta-hydroxy aldehyde - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Solubilité: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• Poids moléculaire: 376.400 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 376.189 Da
• Monoisotopic Mass: 376.189 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 728.000
• 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