MUN91789

• CAT Number: I032886
• CAS Number: 2144491-78-9
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.594
• Purity: 98%
• Solubility: Soluble in DMSO
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: N-(4-(tert-butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-5-carboxamide
• InChI: InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)
• InChIKey: MUNFBYOTGGMQOS-UHFFFAOYSA-N
• SMILES: O=C(NC1CCCCC1)C(N(C2=CC=C(C(C)(C)C)C=C2)C(C3=CN=CN3)=O)C4=CC=CN=C4

MUN91789, also known as CPD77, is a potent inhibitor of SARS-​CoV-​2 main protease. MUN91789 may serve as good scaffolds for the design of novel antiviral agents able to target the active site of SARS-​CoV-​2 MPro. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Reference

Andrianov, Alexander M.; Kornoushenko, Yuri V.; Karpenko, Anna D.; Bosko, Ivan P.; Tuzikov, Alexander V. Computational discovery of small drug-​like compounds as potential inhibitors of SARS-​CoV-​2 main protease. ChemRxiv. 2020, Pages1-21.