Diflorasone - 10mM in DMSO , CAS No.2557-49-5

CAS: 2557-49-5 Cat. No.: D422892 Summenformel: C₂₂H₂₈F₂O₅ Molekulargewicht: 410.45 EG-Nummer: 219-875-7 PubChem CID: 71415

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

diflorasone|2557-49-5|Diflorasonum|Diflorasona|Murode|Diflorasonum [INN-Latin]|Diflorasona [INN-Spanish]|EINECS 219-875-7|UNII-T2DHJ9645W|T2DHJ9645W|U 34865|6alpha,9-Difluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione|(6S,8S,9R,10S,1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Diflorasone is an anti-inflammatory and anti-itching corticosteroid usually present in topical creams.

Diflorasone acts as a corticosteroid hormone receptor agonist with anti-inflammatory and immunosuppressive properties.

Spezifikationen

Synonyme

diflorasone | 2557-49-5 | Diflorasonum | Diflorasona | Murode | Diflorasonum [INN-Latin] | Diflorasona [INN-Spanish] | EINECS 219-875-7 | UNII-T2DHJ9645W | T2DHJ9645W | U 34865 | 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione | (6S,8S,9R,10S,1

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528771150

Kanonisches Lächeln

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F

IUPAC Name

(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

InChIKey

WXURHACBFYSXBI-XHIJKXOTSA-N

INCHI

1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1

Isomere SMILES

C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F

PubChem CID

71415

Molekulargewicht

410.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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 - 6-halo-steroid - Halo-steroid - Oxosteroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Ketone - Halohydrin - Fluorohydrin - Secondary alcohol - Cyclic ketone - Organofluoride - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organohalogen compound - Aliphatic homopolycyclic compound
• Beschreibung: 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: 11beta-hydroxy steroid - 17alpha-hydroxy steroid - glucocorticoid - 20-oxo steroid - fluorinated steroid - 3-oxo-Delta(1),Delta(4)-steroid - 21-hydroxy 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 410.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 410.19 Da
• Monoisotopic Mass: 410.19 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 839.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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