SML3251
GRL-1720
≥98% (HPLC)
Synonym(s):
1H-Indole-4-carboxylic acid 5-chloro-3-pyridinyl ester, 5-Chloro-3-pyridinyl 1H-indole-4-carboxylate, GRL 0496, GRL-0496, GRL0496
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About This Item
Empirical Formula (Hill Notation):
C14H9ClN2O2
CAS Number:
Molecular Weight:
272.69
UNSPSC Code:
51111800
NACRES:
NA.77
MDL number:
Quality Level
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: ≥2 mg/mL, clear
storage temp.
2-8°C
SMILES string
ClC1=CN=CC(OC(C2=CC=CC3=C2C=CN3)=O)=C1
InChI key
BOSZJNSICHFHMA-UHFFFAOYSA-N
Biochem/physiol Actions
GRL-1720 is an irreversible, covalent inhibitor of SARS-CoV-2 Mpro that blocks virus replication. GRL-1720 protects VeroE6 cells form SARS-CoV-2WK-521 infection. It shows no significant cytotoxicity to several cell lines.
Irreversible, covalent inhibitor of SARS-CoV-2 Mpro that blocks virus replication
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Marina Macchiagodena et al.
Journal of chemical theory and computation, 16(11), 7160-7172 (2020-10-23)
In the context of drug-receptor binding affinity calculations using molecular dynamics techniques, we implemented a combination of Hamiltonian replica exchange (HREM) and a novel nonequilibrium alchemical methodology, called virtual double-system single-box, with increased accuracy, precision, and efficiency with respect to
Arun K Ghosh et al.
Bioorganic & medicinal chemistry letters, 18(20), 5684-5688 (2008-09-18)
Design, synthesis and biological evaluation of a series of 5-chloropyridine ester-derived severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors is described. Position of the carboxylate functionality is critical to potency. Inhibitor 10 with a 5-chloropyridinyl ester at position 4 of the
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| SML3251-25MG | 04065267033044 |
| SML3251-5MG | 04065267033051 |