Blue FPG-A trisodium , CAS No.78617-94-4

CAS: 78617-94-4 Cat. No.: B1432556 Molecular Weight: 840.1 PubChem CID: 6604161

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Blue FPG-A trisodium is a selective antagonist of P2X 1 receptor and P2Y 1 receptor with IC 50 values of 35.5 μM and 2.6 μM, respectively. Blue FPG-A trisodium is a structural isomer of the components of Reactive Blue 2 (RB2).

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

ANTAGONIST

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;1-amino-4-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
• InChIKey: WDPGNDHCHKUGLY-UHFFFAOYSA-K
• INCHI: 1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-5-8-15(9-6-13)49(40,41)42)37-29(36-27)34-18-10-7-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
• PubChem CID: 6604161
• Molecular Weight: 840.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Aryl ketones Chloro-s-triazines Primary aromatic amines Aryl chlorides Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary amines Organic metal halides Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - Aryl ketone - Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Ketone - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Secondary amine - Organic metal halide - Organic sodium salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic salt - Primary amine - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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