ABT-072 potassium trihydrate

Category	Hepatitis C Virus (HCV)
CAS	1132940-31-8
Description	ABT-072 potassium trihydrate is a potent and orally active non-nucleoside HCV NS5B polymerase inhibitor with EC50s of 1 nM and 0.3 nM for HCV GT1a and HCV GT1b, respectively.

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Synonyms	Methanesulfonamide, N-(4-((1E)-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)ethenyl)phenyl)-, potassium salt, hydrate (1:1:3); (E)-N-(4-(3-(tert-Butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxystyryl)phenyl)methanesulfonamide potassium salt trihydrate
IUPAC Name	potassium;N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-3-id-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide;trihydrate
Molecular Weight	561.69
Molecular Formula	C24H32KN3O8S
Canonical SMILES	CC(C)(C)C1=CC(=CC(=C1OC)C=CC2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)[N-]C3=O.O.O.O.[K+]
InChI	InChI=1S/C24H27N3O5S.K.3H2O/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31;;;;/h6-15,26H,1-5H3,(H,25,28,29);;3*1H2/q;+1;;;/p-1/b9-6+;;;;
InChIKey	LKNQKKMZUBGVOU-MPMAQEBPSA-M
Purity	≥95%
Solubility	Soluble in DMSO, Water
Appearance	Light yellow to yellow (Solid)
Storage	Store at 2-8°C, sealed storage, away from moisture and light
In Vitro	ABT-072 (potassium trihydrate) is a non-nucleoside NS5B polymerase inhibitor with nanomolar potency in vitro against genotype 1a and 1b hepatitis C virus polymerases.
In Vivo	ABT-072 (potassium trihydrate) shows good PK properties, low plasma clearance and high oral bioavailabilit.
Target	NS5B Polymerase