ChemicalBook--->CAS DataBase List--->1093070-14-4

1093070-14-4

1093070-14-4 Structure

1093070-14-4 Structure
IdentificationBack Directory
[Name]

PLpro inhibitor
[CAS]

1093070-14-4
[Synonyms]

PLpro inhibitor
5-acetamido-2-methyl-n-(2-naphthalen-1-ylethyl)benzamide
5-acetamido-2-methyl-N-[2-(1-naphthalenyl)ethyl]benzamide
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]-
5-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide
5-Acetylamino-2-methyl-N-(1R-naphthalen-1-yl-ethyl)benzamide
5-(Acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
BENZAMIDE; 5-(ACETYLAMINO)-2-METHYL-N-[(1R)-1-(1-NAPHTHALENYL)ETHYL]-
[Molecular Formula]

C22H22N2O2
[MDL Number]

MFCD12547684
[MOL File]

1093070-14-4.mol
[Molecular Weight]

346.42
Chemical PropertiesBack Directory
[Boiling point ]

584.7±50.0 °C(Predicted)
[density ]

1.189±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml
[form ]

Powder
[pka]

14.13±0.46(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

PLpro inhibitor is a potent inhibitor of papain-like protease (PLpro) with an IC50 of 2.6 μM[1]. PLpro inhibitor inhibits SARS-CoV-2 PLpro with an IC50 of 5.0 μM and an EC50 of 21.0 μM[2].
[Definition]

ChEBI: KOM70144 is a benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively). It has a role as a protease inhibitor and an anticoronaviral agent. It is a member of naphthalenes, a member of benzamides, a secondary carboxamide and a member of acetamides. It is functionally related to a GRL-0617.
[storage]

Store at -20°C
[References]

[1] Ratia, K., et al., A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication. Proc Natl Acad Sci U S A, 2008. 105(42): p. 16119-24. DOI:10.1073/pnas.0805240105
[2] http://www.google.com/patents/WO2010022355A1cl=en
[3] Brendan T Freitas, et al. Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease. ACS Infect Dis. 2020 May 19. DOI:10.1021/acsinfecdis.0c00168
Spectrum DetailBack Directory
[Spectrum Detail]

PLpro inhibitor(1093070-14-4)1HNMR
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