MUN91789
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MedKoo CAT#: 555842

CAS#: 2144491-78-9

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).


Chemical Structure

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MUN91789
CAS# 2144491-78-9

Theoretical Analysis

MedKoo Cat#: 555842
Name: MUN91789
CAS#: 2144491-78-9
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

Price and Availability

Size Price Availability Quantity
200.0mg USD 1250.0 2 Weeks
500.0mg USD 1950.0 2 Weeks
1.0g USD 2950.0 2 Weeks
2.0g USD 5250.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.

MUN91789

10.0mg / Not available