Mordant brown 1 , CAS No.3564-15-6

CAS: 3564-15-6 Cat. No.: M1452928 Molecular Weight: 529.46 EC Number: 222-640-1 PubChem CID: 135430967

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mordant brown 1, a naphthalenesulphonic acid derivative, is an azo dye. Mordant brown 1 is also an effective and specific inhibitor of CD40-CD154 costimulatory protein-protein interaction.

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.

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)N=NC3=CC(=C(C=C3N)N)N=NC4=C(C=CC(=C4)[N+](=O)[O-])O.[Na+]
• IUPAC Name: sodium;5-[[2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
• InChIKey: KHXQQMBFMDTPSD-UHFFFAOYSA-M
• INCHI: 1S/C22H17N7O6S.Na/c23-15-10-16(24)19(27-28-20-9-12(29(31)32)7-8-21(20)30)11-18(15)26-25-17-5-1-4-14-13(17)3-2-6-22(14)36(33,34)35;/h1-11,30H,23-24H2,(H,33,34,35);/q;+1/p-1
• Isomeric SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)N=NC3=CC(=C(C=C3N)N)N=NC4=C(C=CC(=C4)[N+](=O)[O-])O.[Na+]
• WGK Germany: 3
• PubChem CID: 135430967
• Molecular Weight: 529.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives Azobenzenes Nitrophenols 1-sulfo,2-unsubstituted aromatic compounds Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organooxygen compounds Primary amines Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Nitrophenol - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - C-nitro compound - Organic nitro compound - Organic alkali metal salt - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Amine - Organic salt - Organic sodium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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