GS-621763

Category	SARS-CoV
CAS	2647442-13-3
Description	GS-621763 is an orally bioavailable prodrug of GS-441524. The nucleoside metabolite of remdesivir, GS-441524 displays potent anti-SARS-CoV-2 efficacy, and is being evaluated in clinical as an oral antiviral therapeutic for COVID-19.

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Synonyms	GS-441524 prodrug
IUPAC Name	[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Weight	501.53
Molecular Formula	C24H31N5O7
Canonical SMILES	CC(C)C(=O)OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)OC(=O)C(C)C)OC(=O)C(C)C
InChI	InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1
InChIKey	RVSSLHFYCSUAHY-JQGROFRJSA-N
Purity	98%
Solubility	In Vitro: DMSO : 100 mg/mL(199.39 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (4.98 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: 2.5 mg/mL (4.98 mM); Suspended solution; Need ultrasonic 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (4.98 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	Store at 2-8°C
Complexity	887
Exact Mass	501.22234834
Target	SARS-CoV
XLogP3-AA	2.3