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Key Documents

SML3163

Sigma-Aldrich

Mpro inhibitor 5h

≥98% (HPLC)

Synonym(s):

Mpro inhibitor 5h, 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-2-(2-Benzothiazolyl)-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-1H-indole-2-carboxamide

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About This Item

Empirical Formula (Hill Notation):
C30H33N5O5S
CAS Number:
1471484-62-4
Molecular Weight:
575.68
UNSPSC Code:
12352107
NACRES:
NA.28

Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Biochem/physiol Actions

Mpro inhibitor 5h is a potent and selective tight-binding reversible inhibitor of SARS-CoV-2 Mpro that blocks virus replication. It protects VeroE6 cells form SARS-CoV-2WK-521 infection. Mpro inhibitor 5h works synergistically with remdesivir against SARS-CoV-2. Mpro inhibitor 5h shows no significant cytotoxicity to several cell lines at 200 μM.

Storage Class Code

11 - Combustible Solids

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’.

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Vijay H Masand et al.
Chemometrics and intelligent laboratory systems : an international journal sponsored by the Chemometrics Society, 206, 104172-104172 (2021-02-02)
In the present work, an extensive QSAR (Quantitative Structure Activity Relationships) analysis of a series of peptide-type SARS-CoV main protease (MPro) inhibitors following the OECD guidelines has been accomplished. The analysis was aimed to identify salient and concealed structural features
Pillaiyar Thanigaimalai et al.
European journal of medicinal chemistry, 68, 372-384 (2013-09-03)
We report the design and synthesis of a series of dipeptide-type inhibitors with novel P3 scaffolds that display potent inhibitory activity against SARS-CoV 3CLpro. A docking study involving binding between the dipeptidic lead compound 4 and 3CLpro suggested the modification
Shin-Ichiro Hattori et al.
Nature communications, 12(1), 668-668 (2021-01-30)
Except remdesivir, no specific antivirals for SARS-CoV-2 infection are currently available. Here, we characterize two small-molecule-compounds, named GRL-1720 and 5h, containing an indoline and indole moiety, respectively, which target the SARS-CoV-2 main protease (Mpro). We use VeroE6 cell-based assays with

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