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Beclabuvir-[d6]

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General Information
Catalog: BLP-003398
Molecular Formula: C36H39D6N5O5S
Molecular Weight: 665.88

Chemical Structure

Description	Beclabuvir-[d6] is an isotope analogue of Beclabuvir. Beclabuvir is a potent, non-nucleotide inhibitor of HCV NS5B which is currently in Phase III clinical trials for the treatment of chronic HCV infection. Beclabuvir is a thumb site 1-NS5B polymerase ligand. Beclabuvir has been shown to equally inhibit de novo and primer dependent synthesis, 5-75 fold more potently than previously studied compounds, thus resulting the most effective thumb site 1 inhibitor of genotype 1 (GT-1) NS5B polymerase.
Synonyms	N-[bis(D3)methylsulfamoyl]-19-cyclohexyl-5-methoxy-10{3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl}-12-azapentacyclo[107.00,7.0,.08]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
IUPAC Name	(8S,10R)-N-[bis(trideuteriomethyl)sulfamoyl]-19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
Related CAS	958002-33-0 (unlabelled)
Canonical SMILES	CN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
InChI	InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1/i1D3,2D3
InChI Key	ZTTKEBYSXUCBSE-YJFARAGVSA-N