Unii-O9H5KY11SV - 1417031-79-8
Unii-O9H5KY11SV
Catalog Number: BT-509364
CAS Number: 1417031-79-8
Molecular Formula: C21H31N3O8S
Molecular Weight: 485.6
The product is for non-human research only. Not for therapeutic or veterinary use.
Product Introduction
Description
GC-376 is a 3C-like protease (3CLpro or Mpro) inhibitor that stops the cleavage and activation of functional viral proteins required for replication and transcription in host cells. The compound is known as a direct acting antiviral (DAA) for coronaviruses, and was initially developed using structure-guided design to combat MERS-Cov infections. In addition, GC-376 displays potent activity against various coronaviruses such as feline, ferret, and mink Mpro coronavirus. A prodrug of [GC-373], GC-376 has recently been used to test inhibition of SARS-Cov-2 Mpro in vitro, and results show potent inhibition of this target. These results suggest that GC-376, and its metabolites may have therapeutic potential for Covid-19.
Properties
CAS Number
1417031-79-8
Product Name
Unii-O9H5KY11SV
IUPAC Name
(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Molecular Formula
C21H31N3O8S
Molecular Weight
485.6
InChI
InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1
InChI Key
BSPZFJDYQHDZNR-ASPXRTSYSA-N
SMILES
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2
Synonyms
(beta S)-alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid
(beta S)-alpha-hydroxy-beta-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid (1:1) sodium salt
(βS)-α-hydroxy-β-(((2S)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic acid monosodium salt
GC-376
GC-376 free acid
Canonical SMILES
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2
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