Description
GRL0617 is a potent, selective and competitive noncovalent inhibitor of SARS PLPro. GRL0617, inhibited SARS-CoV viral replication in Vero E6 cells with an EC(50) of 15 microM and had no associated cytotoxicity. The X-ray structure of PLpro in complex with GRL0617 indicates that the compound has a unique mode of inhibition whereby it binds within the S4-S3 subsites of the enzyme and induces a loop closure that shuts down catalysis at the active site.
Product information
CAS Number: 1093070-16-6
Molecular Weight: 304.39
Formula: C20H20N2O
Synonym:
GRL-0617
GRL0617
GRL 0617
Chemical Name: 5-Amino-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
Smiles: CC1=CC=C(N)C=C1C(=O)N[C@H](C)C1=CC=CC2=CC=CC=C21
InChiKey: UVERBUNNCOKGNZ-CQSZACIVSA-N
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
Technical Data
Appearance: Solid Power.
Purity: ≥98% (or refer to the Certificate of Analysis)
Solubility: Soluble in DMSO
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined.
HS Tariff Code: 382200
References:
- Chaudhuri R, Tang S, Zhao G, Lu H, Case DA, Johnson ME. Comparison of SARS and NL63 papain-like protease binding sites and binding site dynamics: inhibitor design implications. J Mol Biol. 2011 Nov 25;414(2):272-88. doi: 10.1016/j.jmb.2011.09.030. Epub 2011 Sep 29. PubMed PMID: 22004941; PubMed Central PMCID: PMC3397151.
- Nathan J. SchauerRobert S. MaginXiaoxi LiuLaura M. DohertySara J. Buhrlage* Advances in Discovering Deubiquitinating Enzyme (DUB) Inhibitors. Journal of Medicinal Chemistry, Articles ASAP (Perspective). Publication Date (Web):November 4, 2019DOI: 10.1021/acs.jmedchem.9b01138.
Products are for research use only. Not for human use.
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