PF-07321332

Category	SARS-CoV
CAS	2628280-40-8
Description	PF-07321332 is an orally available SARS-CoV 3C-like protease (3CLPRO) inhibitor. 3C-like protease (3CLPRO) is the main protease found in coronaviruses, which cleaves the coronavirus polyprotein at eleven conserved sites. PF-07321332 has demonstrated oral activity in a mouse-adapted SARS-CoV-2 model and has achieved oral plasma concentrations exceeding the in vitro antiviral cell potency in a phase I clinical trial in healthy human participants.

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Synonyms	PF 07321332; PF07321332
IUPAC Name	(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Molecular Weight	499.53
Molecular Formula	C23H32F3N5O4
Canonical SMILES	CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C#N)C
InChI	InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
InChIKey	LIENCHBZNNMNKG-OJFNHCPVSA-N
Purity	98%
Solubility	In vitro: 10 mM in DMSO
Appearance	White to Off-white Solid
Storage	-20°C
Complexity	964
Exact Mass	499.24063901
In Vitro	3CLPRO is responsible for cleaving polyproteins 1a and 1ab of SARS-CoV-2.1. Without the activity of the SARS-CoV-2 3CLPRO, nonstructural proteins (including proteases) cannot be released to perform their functions, inhibiting viral replication.
Target	IC50: 3CLPRO
XLogP3-AA	2.2