Cibacron Blue Agarose , CAS No.84166-13-2

CAS: 84166-13-2 Cat. No.: C377819 Molecular Weight: 774.16 EC Number: 628-922-4

Synonyms

Cibacron Blue | MS-31403 | SCHEMBL4350042 | 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo- | Q27093595 | 1-Amino-4-((4-((4-chloro-6-((2-sulfophenyl)amino

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Cibacron Blue Agarose is useful in the isolation of enzymes requiring NAD|+|and NADP, albumin, interferon, steroid receptors, and 25-Dihydroxyvitamin D3-receptor. It has been shown to bind to several enzymes with known affinities to nucleotide cofactors. Cibacron Blue Agarose has also been shown to bind o dehydrogenases, kinases, restriction endonucleases, albumin, and interferon.
Cibacron Blue Agaroseis A reagent used in the isolation of enzymes requiring NAD+and NADP.

Specifications

Synonyms

Cibacron Blue | MS-31403 | SCHEMBL4350042 | 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1, 3, 5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9, 10-dihydro-9, 10-dioxo- | Q27093595 | 1-Amino-4-((4-((4-chloro-6-((2-sulfophenyl)amino

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

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=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N
• IUPAC Name: 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
• InChIKey: YKCWQPZFAFZLBI-UHFFFAOYSA-N
• INCHI: 1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)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)
• 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=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N
• WGK Germany: 3
• Molecular Weight: 774.16
• Reaxy-Rn: 7967272
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7967272&ln=

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 Aryl chlorides Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Secondary amines Organopnictogen compounds Organochlorides Organic oxides Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - Aryl ketone - Aniline or substituted anilines - Halo-s-triazine - Aminotriazine - Amino-1,3,5-triazine - Chloro-s-triazine - Aryl chloride - Triazine - Monocyclic benzene moiety - Aryl halide - 1,3,5-triazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Vinylogous amide - Sulfonyl - Ketone - Secondary amine - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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

Associated Targets(Human)

HPGDS Tchem Hematopoietic prostaglandin D synthase (1 Activities)

Discover Target: HPGDS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 774.200 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 9
• Exact Mass: 773.007 Da
• Monoisotopic Mass: 773.007 Da
• Topological Polar Surface Area: 323.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1640.000
• 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: 1