6-α-Fluoroprednisolone - ≥95% , Glucocorticoid receptor agonist, CAS No.53-34-9, Glucocorticoid receptor agonist

CAS: 53-34-9 Cat. No.: F336205 Peso molecular: 378.43 Número EC: 200-170-8 PubChem CID: 5876

GRADE & PURITY ≥95%

Synonyms

Fluprednisolonum (INN-Latin) | SCHEMBL24232 | U-7800 | Vladicort | F. I. 6150 | 6-alpha-Fluoroprednisolone, VETRANAL(TM), analytical standard | FLUPREDNISOLONE [USAN] | 6alpha-Fluoro-1-dehydrohydrocortisone | FLUPREDNISOLONE [MART.] | Alphadrol (TN) | FI

Storage

Room temperature

Shipped In

Normal

Descripción general

6-α-Fluoroprednisolone is a useful biochemical for proteomics research.

Specifications

Sinónimos

Fluprednisolonum (INN-Latin) | SCHEMBL24232 | U-7800 | Vladicort | F. I. 6150 | 6-alpha-Fluoroprednisolone, VETRANAL(TM), analytical standard | FLUPREDNISOLONE [USAN] | 6alpha-Fluoro-1-dehydrohydrocortisone | FLUPREDNISOLONE [MART.] | Alphadrol (TN) | FI

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

AGONIST

Mecanismo de acción

Glucocorticoid receptor agonist

Pureza

≥95%

Propiedades del producto

• ALogP: 1.4

Nombres e identificadores

• Pubchem Sid: 488179951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179951
• Sonrisas canónicas: CC12CC(C3C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC34C)F)O
• IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
• InChIKey: MYYIMZRZXIQBGI-HVIRSNARSA-N
• INCHI: 1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
• Isómeros SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)F)O
• PubChem CID: 5876
• Peso molecular: 378.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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 Cyclic ketones Cyclic alcohols and derivatives Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 21-hydroxysteroid - Progestogin-skeleton - 20-oxosteroid - Pregnane-skeleton - Halo-steroid - 3-oxo-delta-1,4-steroid - 6-halo-steroid - 3-oxosteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-1,4-steroid - Cyclic alcohol - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Cyclic ketone - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
• Descripción: 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: fluorinated steroid

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

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 208-213° C
• Peso molecular: 378.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 378.184 Da
• Monoisotopic Mass: 378.184 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 760.000
• 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