SML3064

Atopaxar hydrobromide

≥98% (HPLC)

• Synonyme(s) : 1-(3-tert-Butyl-4-methoxy-5-morpholinophenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl)ethanone hydrobromide, 2-(5,6-Diethoxy-7-fluoro-1,3-dihydro-1-imino-2H-isoindol-2-yl)-1-[3-(1,1-dimethylethyl)-4-methoxy-5-(4-morpholinyl)phenyl]ethanone, monohydrobromide, E 5555, E-5555, E5555, ER 172594-06, ER-172594-00 hydrobromide
• Formule empirique (notation de Hill) : C₂₉H₃₈FN₃O₅ · xHBr
• CAS Number: 751475-53-3
• Poids moléculaire : 527.63 (free base basis)
• Code UNSPSC : 51111800
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Essai: ≥98% (HPLC)
• Forme: powder
• Conditions de stockage: desiccated
• Couleur: white to beige
• Solubilité: DMSO: 2 mg/mL, clear
• Température de stockage: 2-8°C
• Chaîne SMILES: O=C(CN1C(C2=C(C(OCC)=C(C=C2C1)OCC)F)=N)C(C=C3N4CCOCC4)=CC(C(C)(C)C)=C3OC.[xHBr]
• InChI: 1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3
• Clé InChI: QWKAUGRRIXBIPO-UHFFFAOYSA-N

Description

Actions biochimiques/physiologiques

Atopaxar (E5555) is an orally active, potent and selective thrombin receptor (protease-activated receptor; PAR1) antagonist (IC50 = 19 nM/E5555 vs. 490 nM/TRAP against 10 nM haTRAP for PAR-1 binding on human platelet membranes) that inhibits platelet aggregation induced by thrombin or TRAP T (human platelet IC50 = 64/31 nM against 1 u/mL Thrombin/5 μM TRAP; guinea pig IC50 = 13/97 nM against 2 u/mL Thrombin/20 μM TRAP), but not ADP, U46619, collagen, PAR-4ap or PAF. Atopaxar exhibits antithrombotic efficacy in guinea pigs and rats in vivo (10, 30, 100 mg/kg p.o.).

Orally active, potent and selective thrombin receptor (protease-activated receptor; PAR1) antagonist with antithrombotic efficacy in vivo.

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable