WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555842
Description: 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. MUN91789 has CAS#2144491-78-9, no formal name For the convenience of scientific communication, we named it as MUN91789 (combined from Inchi key plus CAS#) according to Hodoodo Chemical Nomenclature (https://hodoodo.com/hodoodo-chemical-nomenclature). MUN91789 was first reported in US 20170313685.
MedKoo Cat#: 555842
Chemical Formula: C27H33N5O2
Exact Mass: 459.2634
Molecular Weight: 459.594
Elemental Analysis: C, 70.56; H, 7.24; N, 15.24; O, 6.96
Related CAS #: MUN91789
Synonym: CPD77; CPD-77; CPD 77; MUN91789; MUN-91789; MUN 91789;
IUPAC/Chemical Name: N-(4-(tert-butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-5-carboxamide
InChi Key: MUNFBYOTGGMQOS-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: O=C(NC1CCCCC1)C(N(C2=CC=C(C(C)(C)C)C=C2)C(C3=CN=CN3)=O)C4=CC=CN=C4
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.