GW8510 - Moligand™, ≥97% , CAS No.222036-17-1

CAS: 222036-17-1 Cat. No.: G336665 Peso molecular: 449.51 PubChem CID: 3536

GRADE & PURITY Moligand™, ≥97%

Synonyms

CID 6539118 | pyridyl)benzenesulfonamide | GW8510, solid | Q27167138 | BDBM153742 | CHEBI:95283 | PD121563 | SCHEMBL5576907 | GCYXEGSPUDSZJY-UHFFFAOYSA-N | 4-[[(Z)-(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methyl]amino]-N-(2-pyridyl)benzenesulfo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

GW8510 is a potent cyclin-dependent kinase-2 (CDK2) inhibitor. GW8510 is also a ribonucleotide reductase M2 (RRM2) inhibitor. GW8510 exhibits neuroprotective and anticancer activities.

Specifications

Sinónimos

CID 6539118 | pyridyl)benzenesulfonamide | GW8510, solid | Q27167138 | BDBM153742 | CHEBI:95283 | PD121563 | SCHEMBL5576907 | GCYXEGSPUDSZJY-UHFFFAOYSA-N | 4-[[(Z)-(7-oxo-6H-pyrrolo[2, 3-g][1, 3]benzothiazol-8-ylidene)methyl]amino]-N-(2-pyridyl)benzenesulfo

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O
• IUPAC Name: 4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
• InChIKey: CDNIYBIKHDLGMT-UHFFFAOYSA-N
• INCHI: 1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)
• Isómeros SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O
• WGK Alemania: 3
• PubChem CID: 3536
• Peso molecular: 449.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Hydroxyindoles Indoles Benzothiazoles Benzenesulfonyl compounds Substituted pyrroles Pyridines and derivatives Organosulfonamides Imidolactams Thiazoles Heteroaromatic compounds Aminosulfonyl compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Benzenesulfonamide - Benzenesulfonyl group - Indole or derivatives - Indole - 1,3-benzothiazole - Imidolactam - Organosulfonic acid amide - Substituted pyrrole - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Azole - Shiff base - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (18 mg/ml)
• Peso molecular: 449.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 449.062 Da
• Monoisotopic Mass: 449.062 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 753.000
• 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