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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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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
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
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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