Dexamethasone - BioReagent, Moligand™, for cell culture, ≥97%, powder , CAS No.50-02-2

CAS: 50-02-2 Cat. No.: D754934 분자식: C₂₂H₂₉FO₅ 분자량: 392.46 Beilstein Registry Number: 2066651 EC 번호: 200-003-9

GRADE & PURITY BioReagent, Moligand™, for Cell culture, ≥97%, powder

Synonyms

Prednisolone F | 9α-Fluoro-16α-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione | (11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione | 9α-Fluoro-16α-methylprednisolone | NSC 34521 | MK 125

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요

Dexamethasone is used to study apoptosis, cell signaling pathways, cell differentiation and gene expression.

Specifications

동의어

Prednisolone F | 9α-Fluoro-16α-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione | (11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione | 9α-Fluoro-16α-methylprednisolone | NSC 34521 | MK 125

사양 및 순도

BioReagent, Moligand™, for cell culture, ≥97%, powder

생화학 및 생리적 메커니즘

Dexamethasone (Hexadecadrol) is a glucocorticoid receptor agonist, apoptosis inducer, and common disease inducer in experimental animals, constructing models of muscle atrophy, hypertension, and depression. Dexamethasone can inhibit the production of infl

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

BioReagent, Moligand™, 세포 배양용

순수함

≥97%

제품 특성

• ALogP: 1.9

이름과 식별자

• Pubchem Sid: 528771144
• 정식 스마일: 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)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
• InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-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
• 이성체 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)CO)O)C)O)F)C
• WGK 독일: 2
• RTECS: TU3980000
• 대체 CAS: 23495-06-9,50-02-2
• NSC 번호: 34521
• MeSH 용어: Decaject;Decaject L.A.;Decaject-L.A.;Decameth;Decaspray;Dexamethasone;Dexasone;Dexpak;Hexadecadrol;Hexadrol;Maxidex;Methylfluorprednisolone;Millicorten;Oradexon
• 분자량: 392.46
• Beilstein: 2066651
• 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
    • 분류 Steroids and steroid derivatives
      • Subclass Hydroxysteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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: Pregnane and derivatives [Fig]

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

화학 및 물리적 특성

• 용해성: methanol: 25 mg/mL
• 감도: Light sensitive
• 녹는점(°C): 262-264°C
• 분자량: 392.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 392.2 Da
• Monoisotopic Mass: 392.2 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 805.000
• 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: 1