Benzarone (Standard) , CAS No.1477-19-6

CAS: 1477-19-6 Cat. No.: B1437412 Molecular Weight: 266.299 EC Number: 216-026-2 PubChem CID: 255968

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Benzarone (Standard) is the analytical standard of Benzarone. This product is intended for research and analytical applications. Benzarone (Fragivix) is a potent human uric acid transporter 1 (hURAT1) inhibitor, with an IC 50 of 2.8 μM in oocyte. Benzarone could lower uric acid serum levels.

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: 4.3

Names and Identifiers

• Canonical Smiles: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
• IUPAC Name: (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
• InChIKey: RFRXIWQYSOIBDI-UHFFFAOYSA-N
• INCHI: 1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
• Isomeric SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
• PubChem CID: 255968
• Molecular Weight: 266.299

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Benzofurans Benzoyl derivatives 3-aroylfurans 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - Benzofuran - 3-aroylfuran - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• External Descriptors: 1-benzofurans

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