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

CAS: 84166-13-2 Cat. No.: C377819 Summenformel: C₂₉H₂₀ClN₇O₁₁S₃ Molekulargewicht: 774.16 EG-Nummer: 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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

Cibacron Blue Agarose eignet sich für die Isolierung von Enzymen, die NAD|+|und NADP benötigen, sowie von Albumin, Interferon, Steroidrezeptoren und 25-Dihydroxyvitamin D3-Rezeptor. Es hat sich gezeigt, dass es an mehrere Enzyme mit bekannter Affinität zu Nukleotid-Cofaktoren bindet. Cibacron Blue Agarose bindet nachweislich auch an Dehydrogenasen, Kinasen, Restriktionsendonukleasen, Albumin und Interferon.
Cibacron Blue Agarose ist ein Reagenz, das bei der Isolierung von Enzymen verwendet wird, die NAD+ und NADP benötigen.

Specifications

Synonyme

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

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Namen und Kennungen

Pubchem Sid

508814460

Kanonisches Lächeln

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)

Isomere 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 Deutschland

3

Molekulargewicht

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
    • Klasse Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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