For research use only. Not for therapeutic Use.
WU-04 is a non-covalent inhibitor of SARS-CoV-2, targeting the 3CLpro protein. WU-04 has high inhibitory effect on the 3CLpro protein of 6 SARS-CoV-2 variants (Alpha, Beta, Gamma, Delta, Lambda and Omicron) and 2 coronaviruses (SARS-CoV and MERS-CoV)[1].
| Catalog Number | I040696 |
| CAS Number | 2921711-74-0 |
| Synonyms | N-[(1S,2R)-2-[4-bromo-2-(methylcarbamoyl)-6-nitroanilino]cyclohexyl]isoquinoline-4-carboxamide |
| Molecular Formula | C24H24BrN5O4 |
| Purity | ≥95% |
| 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 |
| 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.. . |
