2996148-73-1
Chemical Structure
Secutrelvir
Synonym(s): S-892216
- CAS No.: 2996148-73-1
- Formula:C23H16Cl2F3N5O2
- Molecular Weight:522.31
InChIKey: SFQLCDMAEZUPES-UHFFFAOYSA-N
SMILES: N#CCN1C(N(C2=CC(Cl)=CN=C2)C(C(C3=CC(Cl)=C(F)C=C3)=C1N4CC5(CC(F)(C5)F)C4)=O)=O
Biological Activity: Secutrelvir is an oral SARS-CoV-2 3C-like protease (3CLpro) inhibitor and antiviral agent, with IC50 values of 0.655 nM and 0.697 nM against SARS-CoV-2 3CLpro, respectively. Secutrelvir forms a reversible covalent bond with the catalytic cysteine C145 of SARS-CoV-2 3CLpro, thereby inhibiting viral replication. Secutrelvir exhibits activity against multiple SARS-CoV-2 variants and can be used in research related to coronavirus disease 2019 (COVID-19)[1][2][3].
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Secutrelvir | 99.64% | Secutrelvir is an oral SARS-CoV-2 3C-like protease (3CLpro) inhibitor and antiviral agent, with IC50 values of 0.655 nM and 0.697 nM against SARS-CoV-2 3CLpro, respectively. Secutrelvir forms a reversible covalent bond with the catalytic cysteine C145 of SARS-CoV-2 3CLpro, thereby inhibiting viral replication. Secutrelvir exhibits activity against multiple SARS-CoV-2 variants and can be used in research related to coronavirus disease 2019 (COVID-19). | ||||||||||||||||||||
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- [1]. Nobori H, et al. In Vitro and in Vivo Antiviral Activity of S-892216, a Second-Generation Oral 3CLpro Inhibitor against SARS-CoV-2. Open Forum Infect Dis. 2025 Jan 29;12(Suppl 1):ofae631.1267.
- [2]. Nakashima M, et al. P-2028. Therapeutic Effect of Delayed Treatment with a Second-Generation 3CL Protease Inhibitor S-892216 in Hamsters Infected with SARS-CoV-2. Open Forum Infect Dis. 2025 Jan 29;12(Suppl 1):ofae631.2184.
- [3]. Unoh Y, et al. Discovery of the Clinical Candidate S-892216: A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19. J Med Chem. 2025;68(20):21099-21119. [Content Brief]
Keywords