Fluocortolone - ≥96% , CAS No.152-97-6

CAS: 152-97-6 Cat. No.: F337919 Formula: C₂₂H₂₉FO₄ Molecular Weight: 376.46 Beilstein Registry Number: 3122594 EC Number: 205-811-5 PubChem CID: 9053

GRADE & PURITY ≥96%

Synonyms

Fluocortolon|SH 742|FLUOCORTOLONE|Fluorocortolone|Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)-|6alpha-Fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione|Fluorcortolone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Fluocortolone is an anti-inflammatory agent that effectively reduces plasma fibrinogen levels. Fluocortolone inhibits Mycobacterium butyricum-induced foot edema in a rat model of adjuvanted joint inflammation (3-12 mg/kg).

Specifications

Synonyms

Fluocortolon | SH 742 | FLUOCORTOLONE | Fluorocortolone | Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)- | 6alpha-Fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione | Fluorcortolone

Specifications & Purity

≥96%

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.

Purity

≥96%

Product Properties

pKa

pKa: 12.98 (Predicted)

Names and Identifiers

Canonical Smiles

CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1C(=O)CO)C)O)C)F

IUPAC Name

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

InChIKey

GAKMQHDJQHZUTJ-ULHLPKEOSA-N

INCHI

1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1

Isomeric SMILES

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

RTECS

TU3832500

PubChem CID

9053

Molecular Weight

376.46

Beilstein

3122594

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids Halogenated steroids 3-oxo delta-1,4-steroids 11-beta-hydroxysteroids Delta-1,4-steroids Alpha-hydroxy ketones Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - 6-halo-steroid - Halo-steroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organooxygen compound - Primary alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organofluoride - Organohalogen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: 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: Not available

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(Human)

Homo sapiens (32628 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (0.29 mg/ml at 37° C), chloroform, methanol, and dioxane.Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
• Refractive Index: n20D1.57
• Boil Point(°C): 537.35° C
• Melt Point(°C): >175° C (dec.)
• Molecular Weight: 376.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 376.205 Da
• Monoisotopic Mass: 376.205 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 743.000
• 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