(S)-Flurbiprofen (Standard) , CAS No.51543-39-6

CAS: 51543-39-6 Cat. No.: S1432317 Molecular Weight: 244.26 EC Number: 257-263-1 PubChem CID: 72099

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(S)-Flurbiprofen (Standard) is the analytical standard of (S)-Flurbiprofen. This product is intended for research and analytical applications. (S)-Flurbiprofen is an active enantiomer of Flurbiprofen, with IC 50 values of 0.48 μM and 0.47 μM for COX-1 and COX-2 , respectively.

Specifications

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.

Action Type

INHIBITOR

Product Properties

• ALogP: 4.2

Names and Identifiers

• Canonical Smiles: CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
• IUPAC Name: (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid
• InChIKey: SYTBZMRGLBWNTM-JTQLQIEISA-N
• INCHI: 1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
• Isomeric SMILES: C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
• PubChem CID: 72099
• Molecular Weight: 244.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylpropanoic acids Monocyclic monoterpenoids Aromatic monoterpenoids Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: flurbiprofen

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