Dexamethasone-d5 - ≥99% , CAS No.358731-91-6

CAS: 358731-91-6 Cat. No.: D651426 Fórmula: C₂₂H₂₄D₅FO₅ Peso molecular: 397.49

GRADE & PURITY ≥99%

Synonyms

MS-26711 | (11beta,16alpha)-9-Fluoro-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-~2~H_5_)pregna-1,4-diene-3,20-dione | 50-02-2 (unlabeled) | HY-14648S | Dexamethasone-d5 | (8S,9R,10S,11S,13S,14S,16R,17R)-4,6,6-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Dexamethasone-d 5 is the deuterium labeled Dexamethasone. Dexamethasone (Hexadecadrol) is a glucocorticoid receptor agonist. Dexamethasone also significantly decreases CD11b, CD18, and CD62L expression on neutrophils, and CD11b and CD18 expression on monocytes. Dexamethasone is highly effective in the control of COVID-19 infection. Dexamethasone inhibits production of exosomes containing inflammatory microRNA-155 in lipopolysaccharide-induced macrophage inflammatory responses.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

MS-26711 | (11beta,16alpha)-9-Fluoro-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-~2~H_5_)pregna-1,4-diene-3,20-dione | 50-02-2 (unlabeled) | HY-14648S | Dexamethasone-d5 | (8S,9R,10S,11S,13S,14S,16R,17R)-4,6,6-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Dexamethasone-d 5 is the deuterium labeled Dexamethasone. Dexamethasone (Hexadecadrol) is a glucocorticoid receptor agonist. Dexamethasone also significantly decreases CD11b, CD18, and CD62L expression on neutrophils, and CD11b and CD18 expression on mono

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
• IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-4,6,6-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-3-one
• InChIKey: UREBDLICKHMUKA-QEPYKOQPSA-N
• INCHI: 1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1/i4D2,9D,11D2
• SMILES isoméricas: [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)F)C
• Peso molecular: 397.49
• Reaxy-Rn: 2341697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2341697&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - 9-halo-steroid - Halo-steroid - Oxosteroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Ketone - Fluorohydrin - Halohydrin - Secondary alcohol - Cyclic ketone - Organooxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - Aliphatic homopolycyclic compound
• Descrição: 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: 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

Propriedades químicas e físicas

• Peso molecular: 397.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 397.231 Da
• Monoisotopic Mass: 397.231 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 805.000
• Isotope Atom Count: 5
• Defined Atom Stereocenter Count: 8
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 358731-91-6, the molecular formula is C22H24D5FO5, and the molecular weight is 397.49 g/mol. InChIKey UREBDLICKHMUKA-QEPYKOQPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.