SARS-CoV-2-IN-6

• CAT Number: I045340
• CAS Number: 2725749-22-2
• Molecular Formula: C17H13ClN2O2
• Molecular Weight: 312.75
• Purity: ≥95%
• Synonyms: (5-chloropyridin-3-yl) 1-prop-2-enylindole-4-carboxylate
• InChI: InChI=1S/C17H13ClN2O2/c1-2-7-20-8-6-14-15(4-3-5-16(14)20)17(21)22-13-9-12(18)10-19-11-13/h2-6,8-11H,1,7H2
• InChIKey: XBVPAGLILYEOGS-UHFFFAOYSA-N
• SMILES: C=CCN1C=CC2=C(C=CC=C21)C(=O)OC3=CC(=CN=C3)Cl

SARS-CoV-2-IN-6 (Cat No.: I045340) is a chlorinated heteroaryl small-molecule that potently inhibits the SARS-CoV-2 main protease 3CLpro, with an IC₅₀ of 73 nM. Its formula is C₁₇H₁₃ClN₂O₂ (MW 312.75). By occupying the catalytic site, it blocks polyprotein cleavage and halts viral replication. Cell-based assays show reduced cytopathic effects and nucleocapsid expression at low-micromolar levels, demonstrating good selectivity over host proteases. It serves as a valuable probe for antiviral drug discovery.

Reference

[1]. Ghosh AK, et al. Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies. J Med Chem. 2021 Oct 14;64(19):14702-14714.
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