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1132936-00-5

1132936-00-5 Structure

1132936-00-5 Structure
IdentificationBack Directory
[Name]

ABT-072
[CAS]

1132936-00-5
[Synonyms]

ABT-072
ABT-072 (ABT072)
(E)-N-(4-(3-(tert-Butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxystyryl)phenyl)methanesulfonamide
Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-
[Molecular Formula]

C24H27N3O5S
[MOL File]

1132936-00-5.mol
[Molecular Weight]

469.55
Chemical PropertiesBack Directory
[density ]

1.310±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

8.46±0.10(Predicted)
[color ]

Off-white to yellow
Hazard InformationBack Directory
[Uses]

ABT-072 is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC50=1 nM; HCV GT1b EC50=0.3 nM)[1][2][3].
[in vivo]

ABT-072 (5 and/or 30 mg/kg; i.v. or p.o.) shows good PK properties[3].
ABT-072 (2.5 and/or 30 mg/kg; i.v. or p.o.) shows low plasma clearance and high oral bioavailability[3].

Animal Model:Rats[3]
Dosage:5 and/or 30 mg/kg (Pharmacokinetic Analysis)
Administration:I.v. or p.o.
Result:Showed good PK properties.
Animal Model:Dog[3]
Dosage:2.5 or 30 mg/kg (Pharmacokinetic Analysis)
Administration:I.v. or p.o.
Result:Showed low plasma clearance and high oral bioavailability.
[storage]

Store at -20°C
[References]

[1] Lawitz E, et al. A phase 2a trial of 12-week interferon-free therapy with two direct-acting antivirals (ABT-450/r, ABT-072) and ribavirin in IL28B C/C patients with chronic hepatitis C genotype 1. J Hepatol. 2013;59(1):18-23. DOI:10.1016/j.jhep.2013.02.009
[2] Shi Y, et al. Assessing Supersaturation and Its Impact on In Vivo Bioavailability of a Low-Solubility Compound ABT-072 With a Dual pH, Two-Phase Dissolution Method. J Pharm Sci. 2016;105(9):2886-2895. DOI:10.1016/j.xphs.2016.04.036
[3] Randolph JT, et al. Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem. 2018;61(3):1153-1163. DOI:10.1021/acs.jmedchem.7b01630
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