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1985669-27-9

1985669-27-9 Structure

1985669-27-9 Structure
IdentificationBack Directory
[Name]

CN-SAH
[CAS]

1985669-27-9
[Synonyms]

CN-SAH
[Molecular Formula]

C16H20N6O5S
[MOL File]

1985669-27-9.mol
[Molecular Weight]

408.43
Chemical PropertiesBack Directory
[Boiling point ]

827.6±65.0 °C(Predicted)
[density ]

1.81±0.1 g/cm3(Predicted)
[pka]

2.22±0.10(Predicted)
Hazard InformationBack Directory
[Description]

SS148 is an nsp14/nsp16 MTase inhibitor. It also showed some degree of selectivity against human protein MTases, an indication of great potential for chemical optimization towards more potent and selective inhibitors of coronavirus MTases.
[Uses]

SS148 is a dual inhibitor of nsp14/nsp16 MTase. SS148 significant inhibits nsp10–nsp16 with an IC50 of 1.2 μM[1][2].
[References]

[1] Nigam A, et al. Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors. bioRxiv [Preprint]. 2023 Nov 13:2023.10.03.560722. DOI:10.1101/2023.10.03.560722
[2] Klima M, et al. Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci. 2022 Sep;31(9):e4395. DOI:10.1002/pro.4395
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