GRL0617

Category	SARS-CoV
CAS	1093070-16-6
Description	GRL0617 is a potent and selective inhibitor of the protease enzyme papain-like protease (PLpro) with IC50 of 0.6 μM and Ki of 0.49 μM. It has been shown to inhibit SARS-CoV viral replication in vitro.

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Synonyms	GRL-0617; GRL 0617
IUPAC Name	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Molecular Weight	304.39
Molecular Formula	C20H20N2O
Canonical SMILES	CC1=C(C=C(C=C1)N)C(=O)NC(C)C2=CC=CC3=CC=CC=C32
InChI	InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKey	UVERBUNNCOKGNZ-CQSZACIVSA-N
Purity	95%
Solubility	In Vitro: DMSO : 125 mg/mL(410.66 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:5% DMSO >> 40%PEG300 >> 5%Tween-80 >> 50% saline Solubility: 2.5 mg/mL (8.21 mM); Suspended solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (6.83 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (6.83 mM); Clear solution 4.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (6.83 mM); Clear solution
Appearance	Light yellow to yellow (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	410
Exact Mass	304.157563266
In Vitro	GRL0617 (0-50 μM; 48 h) exibits significantly antiviral activity in SARS-CoV infected Vero E6 cells.
PSA	58.61000
Target	IC50: 0.6 nM (SARS-CoV 3CLpro)
XLogP3-AA	4