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dasabuvir

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Category Hepatitis C Virus (HCV)
CAS 1132935-63-7
Description Dasabuvir is an antiviral drug for the treatment of hepatitis C. It inhibits hepatitis C virus (HCV) non-nucleoside NS5B palm polymerase to suppress RNA replicase. Dasabuvir is commonly used in combination with ombitasvir/paritaprevir/ritonavir to effect on HCV type 1.
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Product Information

Synonyms ABT333; ABT-333; ABT 333, Dasabuvir. Trade names: Viekira Pak (with ombitasvir/paritaprevir/ritonavir tablets), Exviera; N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide
IUPAC Name N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
Molecular Weight 493.578
Molecular Formula C26H27N3O5S
Canonical SMILES CC(C)(C)C1=C(C(=CC(=C1)N2C=CC(=O)NC2=O)C3=CC4=C(C=C3)C=C(C=C4)NS(=O)(=O)C)OC
InChI InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)
InChIKey NBRBXGKOEOGLOI-UHFFFAOYSA-N
Purity 98.40%
Density 1.3±0.1 g/cm3
Solubility In Vitro:
DMSO : ≥ 46 mg/mL(93.20 mM)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline
Solubility: ≥ 2.5 mg/mL (5.07 mM); Clear solution
2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)
Solubility: ≥ 2.5 mg/mL (5.07 mM); Clear solution
3.Add each solvent one by one:10% DMSO >> 90%corn oil
Solubility: ≥ 2.5 mg/mL (5.07 mM); Clear solution
Appearance White to yellow (Solid)
Application the treatment of hepatitis C
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 938
Exact Mass 493.16714214
Index Of Refraction 1.641
In Vitro Dasabuvir (ABT-333) is at least 7,000-fold more selective for HCV genotype 1 polymerase compared to human/mammalian polymerases. Dasabuvir (ABT-333) inhibits polymerase enzyme activity of genotype 1 laboratory strain enzymes (H77, BK, N, and Con1 strains), as well as enzymes produced from polymerase genes from HCV genotype 1-infected subjects, with IC50s ranging from 2.2 and 10.7 nM. Dasabuvir (ABT-333) inhibits HCV subgenomic replicon replication in cell culture assays with EC50 values of 7.7 and 1.8 nM for genotypes 1a (H77) and 1b (Con1), respectively. In the presence of 40% human plasma, the inhibition potency is reduced by a factor of 12 to 13, and the EC50s of HCV genotypes 1a (H77) and 1b (Con1) replicates are 99 and 21 nM, respectively.
PSA 118.90000
Target IC50: 2.2-10.7 nM (NS5B polymerase)
XLogP3-AA 4.3

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