BPD , CAS No.213481-12-0

CAS: 213481-12-0 Cat. No.: B1432977 Molecular Weight: 294.26 EC Number: 803-332-1 PubChem CID: 10286243

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BPD is a COX-2 and TAK1-NF-κB inhibitor, with an IC 50 of 18.5 μM for COX-2. BPD inhibits the expression of iNOS , TNF-α, IL-6 and IL-1β at the transcriptional level. BPD has anti-inflammatory activity. BPD can inhibit Carrageenan-induced paw oedema and LPS-induced septic death.

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

Names and Identifiers

• Canonical Smiles: C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)OC3=O)C4=CC=CC=C4
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenylfuran-2,5-dione
• InChIKey: IMHGOAWBSJVILI-UHFFFAOYSA-N
• INCHI: 1S/C17H10O5/c18-16-14(10-4-2-1-3-5-10)15(17(19)22-16)11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)OC3=O)C4=CC=CC=C4
• WGK Germany: 3
• PubChem CID: 10286243
• Molecular Weight: 294.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzodioxoles Dicarboxylic acids and derivatives Butenolides Benzene and substituted derivatives Carboxylic acid anhydrides Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Stilbene - Benzodioxole - Monocyclic benzene moiety - 2-furanone - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Dihydrofuran - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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