Secutrelvir (S-892216) | SARS-CoV-2 3CLPro inhibitor

Chemical Structure : Secutrelvir

Secutrelvir (S-892216, S892216)

Catalog No.: PC-24181Not For Human Use, Lab Use Only.

Secutrelvir (S-892216) is a potent, selective, reversible and covalent, oral SARS-CoV-2 3C-like protease (3CLpro) inhibitor with IC50 of 0.665 nM, and antiviral EC50 of 2.48 nM in CPE inhibition assays.

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Biological Activity

Secutrelvir (S-892216) is a potent, selective, reversible and covalent, oral SARS-CoV-2 3C-like protease (3CLpro) inhibitor with IC50 of 0.665 nM, and antiviral EC50 of 2.48 nM in CPE inhibition assays.

S-892216 has no inhibitory activity against caspase-2, chymotrypsin, cathepsin B/D/G/L, thrombin, or HIV-1 protease at 10 uM.

S-892216 exhibits potent antiviral activities against various SARS-CoV-2 variants, including the Omicron JN.1 strain, with EC50 values of 2.27 to 12.5 nM in VeroE6/TMPRSS2 cells without cytotoxicity.

S-892216 displays anti-SARS-CoV-2 activity in VeroE6/TMPRSS2 cells with P-gp inhibitor and A549-Dual hACE2-TMPRSS2 cells, a human cell line derived from lung cancer overexpressing ACE2 and TMPRSS2, with EC50 values of 3.36 and 2.21 nM, respectively.

S-892216 demonstrates antiviral activity against the Omicron variants, with EC90 values of 2.31 to 2.41 nM in human airway epithelial cells (hAECs).

S-892216 exhibits promising antiviral activity against other beta-coronaviruses, including severe acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome coronavirus (MERS-CoV), and human coronavirus OC43 (HCoV-OC43), with EC50 values of 6.61, 57.3, and 92.0 nM, respectively.

S-892216 (0.1, 0.3, 1, 3, and 10 mg/kg bid, oral) exhibits in vivo antiviral efficacy in mice infected with SARS-CoV-2.

Physicochemical Properties

M.Wt	522.31
Formula	C23H16Cl2F3N5O2
Appearance	Solid
CAS No.
Storage	Solide Powder -20°C 12 Months; 4°C 6 Months	In Solvent -80°C 6 Months; -20°C 6 Months
Shipping
Solubility	10 mM in DMSO
Chemical Name/SMILES	2-(5-(3-chloro-4-fluorophenyl)-3-(5-chloropyridin-3-yl)-6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetonitrile

References

1. Patent WO2025005305 A1.
2. Unoh Y, et al. J Med Chem. 2025 Jul 5. doi: 10.1021/acs.jmedchem.5c00754.

Secutrelvir (S-892216, S892216)

Biological Activity

Physicochemical Properties

References

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