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Velpatasvir-[d7]

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Category HCV Protease
CAS 2172676-02-5
Description Velpatasvir-[d7] is the labelled analogue of Velpatasvir, which is a selective Hepatitis C virus NS 5 protein inhibitor.
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Product Information

Synonyms Velpatasvir-d7; N-​[(1R)​-​2-​[(2S,​4S)​-​2-​[5-​[1,​11-​dihydro-​2-​[(2S,​5S)​-​1-​[(2S)​-​2-​[(methoxy-​d3-​carbonyl)​amino]​-​3-​methyl-​1-​oxobutyl-​2-​d]​-​5-​methyl-​2-​pyrrolidinyl]​[2]​benzopyrano[4',​3':6,​7]​naphth[1,​2-​d]​imidazol-​9-​yl]​-​1H-​imidazol-​2-​yl]​-​4-​(methoxymethyl)​-​1-​pyrrolidinyl]​-​2-​oxo-​1-​phenylethyl]​-​carbamic Acid Methyl-​d3 Ester
IUPAC Name methyl-d3 ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-(((methoxy-d3)carbonyl)-L-valyl-2-d)-5-methylpyrrolidin-2-yl)-3,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate
Molecular Weight 890.04
Molecular Formula C49H47D7N8O8
Canonical SMILES CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC
Purity ≥98% (HPLC)
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance Off-white Solid
Storage Store at -20°C
Complexity 1690
Exact Mass 889.45039793
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target HCV; SARS-CoV
XLogP3-AA 6.2

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