WU-04

• CAT Number: I040696
• CAS Number: 2921711-74-0
• Molecular Formula: C24H24BrN5O4
• Molecular Weight: 526.38
• Purity: ≥95%
• Synonyms: N-[(1S,2R)-2-[4-bromo-2-(methylcarbamoyl)-6-nitroanilino]cyclohexyl]isoquinoline-4-carboxamide
• InChI: InChI=1S/C24H24BrN5O4/c1-26-23(31)17-10-15(25)11-21(30(33)34)22(17)28-19-8-4-5-9-20(19)29-24(32)18-13-27-12-14-6-2-3-7-16(14)18/h2-3,6-7,10-13,19-20,28H,4-5,8-9H2,1H3,(H,26,31)(H,29,32)/t19-,20+/m1/s1
• InChIKey: BPLNOSFMIIASSJ-UXHICEINSA-N
• SMILES: CNC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])NC2CCCCC2NC(=O)C3=CN=CC4=CC=CC=C43

WU-04 (Cat No.: I040696) is a potent, non-covalent small-molecule inhibitor targeting the 3CLpro (main protease) of SARS-CoV-2, the virus responsible for COVID-19. It blocks viral replication by binding to the active site of the protease, preventing cleavage of viral polyproteins essential for replication. Unlike covalent inhibitors, WU-04 offers reversible binding with high specificity and strong antiviral activity in vitro. It is used in antiviral drug research as a promising lead compound for developing next-generation COVID-19 therapeutics with improved safety and resistance profiles.

Reference

[1]. Wu J, et al. The molecular mechanism of non-covalent inhibitor WU-04 targeting SARS-CoV-2 3CLpro and computational evaluation of its effectiveness against mainstream coronaviruses. Phys Chem Chem Phys. 2023 Sep 13;25(35):23555-23567.. .
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