GSK1521498 free base - Moligand™, ≥98% , CAS No.1007573-18-3

CAS: 1007573-18-3 Cat. No.: G648354 Peso molecular: 402.44

GRADE & PURITY Moligand™, ≥98%

Synonyms

W0UTB622GK | P14962 | SCHEMBL15796607 | GSK-1521498B | GSK1521498 | GSK-1521498 | GSK1521498 (free base) | Q27292156 | SCHEMBL1785572 | N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

GSK1521498 free base is a potent and selective μ-opioid receptor (MOR) antagonist. GSK1521498 free base has the potential for disorders of compulsive consumption of food, alcohol, and agents

Form:Solid

IC50& Target:μ Opioid Receptor/MOR

Specifications

Sinónimos

W0UTB622GK | P14962 | SCHEMBL15796607 | GSK-1521498B | GSK1521498 | GSK-1521498 | GSK1521498 (free base) | Q27292156 | SCHEMBL1785572 | N-[[2, 6-difluoro-4-[3-(1H-1, 2, 4-triazol-5-yl)phenyl]phenyl]methyl]-2, 3-dihydro-1H-inden-2-amine

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

GSK1521498 free base is a potent and selective μ-opioid receptor (MOR) antagonist. GSK1521498 free base has the potential for disorders of compulsive consumption of food, alcohol, and agents.

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

ANTAGONIST

Pureza

≥98%

Propiedades del producto

• ALogP: 4.9

Nombres e identificadores

• Sonrisas canónicas: C1C(CC2=CC=CC=C21)NCC3=C(C=C(C=C3F)C4=CC(=CC=C4)C5=NC=NN5)F
• IUPAC Name: N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
• InChIKey: WIEDUMBCZQRGSY-UHFFFAOYSA-N
• INCHI: 1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)
• Isómeros SMILES: C1C(CC2=CC=CC=C21)NCC3=C(C=C(C=C3F)C4=CC(=CC=C4)C5=NC=NN5)F
• CAS alternativo: 1007573-18-3；1007578-24-6；1426543-84-1
• Términos de entrada MeSH: GSK 1521498;GSK-1521498;GSK1521498;N-((3,5-difluoro-3'-(1H-1,2,4-triazol-3-yl)-4-biphenylyl)methyl)-2,3-dihydro-1H-inden-2-amine
• Peso molecular: 402.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyl-1,2,4-triazoles Indanes Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Phenyltriazole - Phenyl-1,2,4-triazole - Indane - Benzylamine - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Objetivos asociados (humanos)

OPRM1 Tclin Mu-type opioid receptor (0 Activities)

Discover Target: OPRM1

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

Propiedades químicas y físicas

• Solubilidad: DMSO : 11.36 mg/mL (28.23 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 402.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 402.166 Da
• Monoisotopic Mass: 402.166 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 537.000
• 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