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

CAS: 55203-24-2 Cat. No.: D129705 分子式: C₂₂H₂₈FNa₂O₈P 分子量: 516.4

GRADE & PURITY Moligand™, ≥99%

Synonyms

Dalalone | Dexagro | Dexadreson

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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

同義語

Dalalone | Dexagro | Dexadreson

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥99%

名前と識別子

• パブケム・シド: 528771146
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528771146
• カノニカル・スマイル: 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
• 異性体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+]
• 代替CAS番号: 2392-39-4
• 分子量: 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
    • 分類 Steroids and steroid derivatives
      • Subclass Pregnane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO <1 mg/mL Water 103 mg/mL Ethanol <1 mg/mL
• 分子量: 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

参考文献

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