Dexamethasone Sodium Phosphate - Moligand™, ≥99% , CAS No.55203-24-2

CAS: 55203-24-2 Cat. No.: D129705 Molecular Weight: 516.4

GRADE & PURITY Moligand™, ≥99%

Synonyms

Dalalone | Dexagro | Dexadreson

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dexamethasone is a potent synthetic member of the glucocorticoid class of steroid drugs, and an interleukin receptor modulator that has anti-inflammatory and immunosuppressant effects

Specifications

Synonyms

Dalalone | Dexagro | Dexadreson

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Dexamethasone Sodium Phosphate (Dexamethasone) is an interleukin receptor modulator with anti-inflammatory and immunosuppressive effects. It belongs to the potent glucocorticoid class of steroid synthetic drugs.

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

≥99%

Names and Identifiers

• Canonical Smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
• IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
• InChIKey: PLCQGRYPOISRTQ-FCJDYXGNSA-L
• INCHI: 1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
• Alternate CAS: 2392-39-4
• Molecular Weight: 516.4
• Reaxy-Rn: 29316793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29316793&ln=

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: 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Glycerone phosphates Alkyl phosphates Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Organic metal halides Alkyl fluorides Hydrocarbon derivatives Organofluorides Organic sodium salts Organic oxides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-1,4-steroid - Glycerone phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Fluorohydrin - Ketone - Halohydrin - Organic metal halide - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organofluoride - Carbonyl group - Organooxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organic salt - Organic sodium salt - 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: organic sodium salt

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO <1 mg/mL Water 103 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 516.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 516.13 Da
• Monoisotopic Mass: 516.13 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 961.000
• Isotope Atom Count: 0
• 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: 3

XLogP3

References

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