Cibacron Blue 3G-A , CAS No.84166-13-2

CAS: 84166-13-2 Cat. No.: C274958 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

Room temperature

Shipped In

Normal

Overview

product describtion:

Cibacron Blue 3G-A is an anionic anthraquinone dye. It is commonly used as a ligand in affinity chromatography for the purification of proteins, enzymes,Spectral properties and biopolymers.

Cibacron blue 3G-A has an absorbance maximum at 602 nm (in water).biopolymers.

Structure

Cibacron Blue 3G-A dye consists of anthraquinone backbond link to phenyl, triazine, and phenyl rings interconnected by C-N bonds and adorn by amine and sulfate functional moieties.

Application

Cibacron Blue 3G-A has been employed in the textile industry for many years. It has shown tremendous protein binding capacity and can readily be immobilized on the polymer containing a hydroxyl group. Due to its aforementioned properties, it has been used as a ligand in affinity chromatography for the purification of proteins and enzymes. It was also reported to apply for the purification of biopolymers (e.g., interferons and albumins).When immobilized using an insoluble porous support matrix such as agarose, Cibacron Blue 3GA is used for affinity chromatography purification of enzymes. This affinity has been attributed to a structural similarity between the dye and the natural ligands for proteins with cofactor binding domains.

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

Biochemical and Physiological Mechanisms

Cibacron Blue 3GA is an anionized tantalum dye. It is a P2-niobium receptor antagonist and inhibits glutamate release of brain cortex tissue in rats that stimulates induction. Cibacron Blue 3GA inhibits OXA-1 and OXA-2 beta-lactamase and is used to monito

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Pubchem Sid: 504757669
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757669
• 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

• Solubility: Soluble in Water to 10 mM
• Sensitivity: Light sensitive
• 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