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. 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 or its molecule weight if its CAS number is not available (see MedKoo Chemical Nomenclature, https://www.medkoo.com/page/naming).
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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 459.594 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
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.