Setrobuvir

Names

[ Name ]:
Setrobuvir

[Synonym ]:
Methanesulfonamide,N-(3-((4aR,5S,8R,8aS)-1-((4-fluorophenyl)methyl)-1,2,4a,5,6,7,8,8a-octahydro-4-hydroxy-2-oxo-5,8-methanoquinolin-3-yl)-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl)
N-(3-((1R,2S,7R,8S)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7-yl)methanesulfonamide
ANA-598
Setrobuvir [USAN]

Biological Activity

[Description]:

Setrobuvir (ANA598) is an orally active non-nucleosidic HCV NS5B polymerase inhibitor. ANA-598 inhibits both de novo RNA synthesis and primer extension, with IC50s between 4 and 5 nM. Setrobuvir also shows excellent binding affinity to SARS-CoV-2 RdRp and induces RdRp inhibition[1][2].

[Related Catalog]:

Signaling Pathways >> Anti-infection >> HCV

Research Areas >> Infection

Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis

Signaling Pathways >> Anti-infection >> SARS-CoV

[In Vitro]

Setrobuvir (ANA598) is a non-nucleoside inhibitor that binds to the palm pocket of the HCV polymerase and has an EC50 against HCV genotype 1b/Con1-containing subgenomic replicons in the nanomolar range. Setrobuvir appears to inhibit both de novoinitiated RNA synthesis and primer extension, and its activity is unchanged by the presence of mutations that modify the activity of thumb-binding non-nucleoside inhibitors[1].

[References]

[1]. Yi G, et al. Biochemical study of the comparative inhibition of hepatitis C virus RNA polymerase by VX-222 and filibuvir. Antimicrob Agents Chemother. 2012;56(2):830‐837.

[2]. Elfiky AA. SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silicoperspective [published online ahead of print, 2020 May 6]. J Biomol Struct Dyn. 2020;1‐9.

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₅H₂₅FN₄O₆S₂

[ Molecular Weight ]:
560.61800

[ Exact Mass ]:
560.12000

[ PSA ]:
162.00000

[ LogP ]:
4.72520

Related Compounds

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