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Dasabuvir

CAT: 0013-GTR19163618-09Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163618-09Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABT-333 is an NS5B non-nucleoside polymerase inhibitor. (In Vitro) :Dasabuvir (ABT-333) is at least 7,000-fold selective for the inhibition of HCV genotype 1 polymerases over human/mammalian polymerases.Dasabuvir (ABT-333) inhibits the polymerase enzymatic 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 between 2.2 and 10.7 nM.Dasabuvir (ABT-333) inhibits replication of HCV subgenomic replicons in cell culture assays, with EC50 values of 7.7 and 1.8 nM against genotype 1a (H77) and 1b (Con1), respectively. In the presence of 40% human plasma, there is a 12- to 13-fold decrease in inhibitory potency, yielding EC50s of 99 and 21 nM for HCV genotype 1a (H77) and 1b (Con1) replicons, respectively.
CAS Number
1132935-63-7
Product Name Alternative
ABT-333
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 46 mg/mL
Smiles
CS (=O) (NC1=CC=C2C=C (C3=CC (N (C (N4) =O) C=CC4=O) =CC (C (C) (C) C) =C3OC) C=CC2=C1) =O
Molecular Formula
C26H27N3O5S
Molecular Weight
493.578
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (6- (3- (tert-butyl) -5- (2,4-dioxo-3,4-dihydropyrimidin-1 (2H) -yl) -2-methoxyphenyl) naphthalen-2-yl) methanesulfonamide

Chemical Information

Dasabuvir

Dasabuvir is a member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has a role as an antiviral drug and a nonnucleoside hepatitis C virus polymerase inhibitor. It is a member of naphthalenes, a sulfonamide, an aromatic ether and a pyrimidone. It is functionally related to a uracil.

CAS Number1132935-63-7
PubChem CID56640146
IUPAC NameN-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
Molecular FormulaC26H27N3O5S
Molecular Weight493.6
XLogP4.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity938
SMILES
CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O
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
Chemical Structure
2D Structure
2D structure of Dasabuvir
CAS: 1132935-63-7
CID: 56640146
Formula: C26H27N3O5S
MW: 493.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass493.16714214
Monoisotopic Mass493.16714214
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-D193550-5MGDasabuvir
T63593-01Dasabuvir sodium
HY-13998ADasabuvir (sodium)
HY-13998R-01Dasabuvir (Standard)
AR-D01272-01Dasabuvir-d9
C17621-25mgDasabuvir (ABT-333)
AR-D06524-01N-Nitroso Dasabuvir
445810-01Dasabuvir Naphthyl-d6
AR-D01273-01Dasabuvir-13C-d3
TRC-D193553-100MGDasabuvir O-Trideuteromethyl-d3

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