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

CAS: 573-58-0 Cat. No.: C100174 分子式: C₃₂H₂₂N₆Na₂O₆S₂ 分子量: 696.66 EC番号: 209-358-4

グレード＆純度 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

仕様

同義語

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 |

仕様と純度

indicator

生化学的・生理学的メカニズム

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

保管条件

Room temperature

入荷

Normal

等級

指標

名前と識別子

パブケム・シド

488181305

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体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+]

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

CHAT Tchem Choline acetylase (63 Activities)

Discover Target: CHAT

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

GLB1 Tchem Beta-galactosidase (339 Activities)

Discover Target: GLB1

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CTRC Tchem Chymotrypsin C (381 Activities)

Discover Target: CTRC

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ENPP2 Tchem Autotaxin (2645 Activities)

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

Discover Target: ENPP6

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

Discover Target: ENPP7

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SLC7A11 Tchem Cystine/glutamate transporter (150 Activities)

Discover Target: SLC7A11

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

Discover Target: PHLPP2

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関連ターゲット（非人間）

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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blaZ Beta-lactamase (285 Activities)

Discover Target: blaZ

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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

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

ampC AmpC (52 Activities)

Discover Target: ampC

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作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 融点（°C）: >360°C
• 分子量: 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