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GC376 (sodium) (Standard)

CAT: 0804-HY-100721RSize: 1 EachDry Ice: NoHazardous: No
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Description
GC376 (sodium) (Standard) is the analytical standard of GC376 (sodium). This product is intended for research and analytical applications. GC376 sodium is a 3CLpro inhibitor; inhibits the replication of viruses TGEV, FIPV and PTV with IC50 values of 0.15, 0.2 and 0.15 μM, respectively.
CAS Number
1416992-39-6
Target
Reference Standards; Virus Protease
Related Pathways
Anti-infection; Others
Field of Research
Infection
Smiles
O=C(N[C@@H](CC(C)C)C(N[C@@](C(S(=O)(O[Na])=O)O)([H])CC1C(NCC1)=O)=O)OCC2=CC=CC=C2
Molecular Formula
C21H30N3NaO8S
Molecular Weight
507.53
References & Citations
[1]Kim Y, et al. Broad-spectrum antivirals against 3C or 3C-like proteases of picornaviruses, noroviruses, and coronaviruses. J Virol. 2012 Nov;86 (21) :11754-62.|[2]Takahashi D, et al. Structural and inhibitor studies of norovirus 3C-like proteases. Virus Res. 2013 Dec 26;178 (2) :437-44.|[3]Yunjeong Kim, et al. Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor. PLoS Pathog. 2016 Mar 30;12 (3) :e1005531.|[4]Pedersen NC, et al. Efficacy of a 3C-like protease inhibitor in treating various forms of acquired feline infectious peritonitis. J Feline Med Surg. 2017 Sep 1:1098612X17729626.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

GC-376

protease inhibitor

CAS Number1416992-39-6
PubChem CID71481119
IUPAC Namesodium (2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
Molecular FormulaC21H30N3NaO8S
Molecular Weight507.5
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity783
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.[Na+]
InChI
InChI=1S/C21H31N3O8S.Na/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);/q;+1/p-1/t15?,16-,17-,20?;/m0./s1
InChIKey
BSPJDKCMFIPBAW-JPBGFCRCSA-M
Chemical Structure
2D Structure
2D structure of GC-376
CAS: 1416992-39-6
CID: 71481119
Formula: C21H30N3NaO8S
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass507.16513038
Monoisotopic Mass507.16513038
Topological Polar Surface Area182 Ų
Heavy Atom Count34
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T5188-01GC376 sodium
A22221-25GC376 sodium 25mg
A22221-50GC376 sodium 50mg
A22221-500GC376 sodium 500mg
A22221-100GC376 sodium 100mg
A22221-10GC376 sodium 10mg
A22221-5GC376 sodium 5mg
A22221-10mM-DGC376 sodium 10mM * 1mL in DMSO
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