Congo red - indicator , CAS No.573-58-0

CAS: 573-58-0 Cat. No.: C100174 Formula: C₃₂H₂₂N₆Na₂O₆S₂ Molecular Weight: 696.66 EC Number: 209-358-4

GRADE & PURITY Indicator

Synonyms

Brasilamina congo 4B | Mitsui Congo Red | NSC 7232 | C.I. Direct Red 28, disodium salt (8CI) | Cotton Red L | disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | Hispamin Congo 4B | DTXSID4022816 | C32H22N6O6S2.2Na |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Brasilamina congo 4B | Mitsui Congo Red | NSC 7232 | C.I. Direct Red 28, disodium salt (8CI) | Cotton Red L | disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | Hispamin Congo 4B | DTXSID4022816 | C32H22N6O6S2.2Na |

Specifications & Purity

indicator

Biochemical and Physiological Mechanisms

Congo red is a benzidine-based anionic diazo dye. It is a histological dye which binds to many amyloid proteins and is used for the quantification of amyloid β-peptide aggregation. Congo red also interacts with β-D-glucans, polysaccharides containing cont

Storage

Room temperature

Shipped In

Normal

Grade

Indicator

Names and Identifiers

Pubchem Sid

488181305

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181305

Canonical Smiles

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate

InChIKey

IQFVPQOLBLOTPF-UHFFFAOYSA-L

INCHI

1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Molecular Weight

696.66

Reaxy-Rn

3894858

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3894858&ln=

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: Benzidines
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Primary amines Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Benzidine - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Amine - Organic salt - Organic sodium salt - Primary amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• External Descriptors: azo compound

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

Associated Targets(Human)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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CHAT Tchem Choline acetylase (63 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APP Tclin Amyloid-beta A4 protein (8510 Activities)

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GLB1 Tchem Beta-galactosidase (339 Activities)

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CTRC Tchem Chymotrypsin C (381 Activities)

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ENPP2 Tchem Autotaxin (2645 Activities)

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ENPP6 Tbio Ectonucleotide pyrophosphatase/phosphodiesterase family member 6 (69 Activities)

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ENPP7 Tbio Ectonucleotide pyrophosphatase/phosphodiesterase family member 7 (69 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLC7A11 Tchem Cystine/glutamate transporter (150 Activities)

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PHLPP2 Tbio PH domain leucine-rich repeat-containing protein phosphatase 2 (32 Activities)

Discover Target: PHLPP2

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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blaZ Beta-lactamase (285 Activities)

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Alpha-chymotrypsin (819 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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PC-12 (7051 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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ampC AmpC (52 Activities)

Discover Target: ampC

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): >360°C
• Molecular Weight: 696.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 696.084 Da
• Monoisotopic Mass: 696.084 Da
• Topological Polar Surface Area: 233.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3