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 not formal name. For the convenience of scientific communication, we named it by combining its Inchi key (3 letters from the first letter of each section) with the last 5 digits of its CAS number (see MedKoo Chemical Nomenclature, https://www.medkoo.com/page/naming).
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Name | MUN91789 |
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Iupac Chemical Name | N-(4-(tert-butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-5-carboxamide |
Synonyms | CPD77; CPD-77; CPD 77; MUN91789; MUN-91789; MUN 91789; |
Molecular Formula | C27H33N5O2 |
Molecular Weight | 459.594 |
Smile | O=C(NC1CCCCC1)C(N(C2=CC=C(C(C)(C)C)C=C2)C(C3=CN=CN3)=O)C4=CC=CN=C4 |
InChiKey | MUNFBYOTGGMQOS-UHFFFAOYSA-N |
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) |
CAS Number | 2144491-78-9 |
Related CAS | N-(4-(tert-butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-5-carboxamide |
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Formulation | 固体粉末 |
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Purity | 98% Min. |
Storage | 短期(几天到几周)为0-4摄氏度,长期(几个月)为-20摄氏度 |
Solubility | 可溶于DMSO |
Handling | |
Shipping Condition | 作为非危险化学品在环境温度下装运。这种产品在正常运输和海关工作期间可以稳定几周 |
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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。