Skip to Content
Merck
All Photos(1)

Documents

SML2877

Sigma-Aldrich

SARS-CoV-2 main protease inhibitor 11a

≥90% (HPLC)

Synonym(s):

N-((S)-3-cyclohexyl-1-oxo-1-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-ylamino)propan-2-yl)-1H-indole-2-carboxamide, N-[(1S)-1-(Cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide, SARS-CoV-2 3CLpro inhibitor 11a, SARS-CoV-2 Mpro inhibitor 11a

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C25H32N4O4
CAS Number:
2103278-86-8
Molecular Weight:
452.55
UNSPSC Code:
51111800
NACRES:
NA.54

Quality Level

100

Assay

≥90% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H]2C(NCC2)=O)C=O)=O)C3=CC4=CC=CC=C4N3

Biochem/physiol Actions

Inhibitor 11a is a COVID-19 corona virus SARS-CoV-2 inhibitor that covalently targets the main protease (Mpro; a.k.a. 3C-like protease or 3CLpro) substrate site Cys145 (IC50 = 53 nM; 10 min pre-incubation with 30 nM SARS-CoV-2 Mpro prior to the addition of 20 μM substrate). Inhibitor 11a effectively inhibits SARS-CoV-2 replication in Vero E6 cultures (IC50 = 0.53 μM 24 h post infection with MOI = 0.05; cytotoxicity CC50 >100 μM) with good pharmacokinetic properties in mice in vivo (5 mg/kg via i.p. or i.v.).

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service