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VX-222

CAT: 0013-GTR19164045-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164045-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent and selective, nonnucleoside inhibitor of HCV NS5B polymerase inhibitor with Kd of 17 nM; inhibits the 1b/Con1 HCV subgenomic replicon with EC50 of 17 nM, the M423I and A486S variants remaine susceptible to VX-222; exhibits non-competitive and selective inhibition in HCV NS5B of genotype 1a and 1b, with IC50 of 0.94 and 1.2 uM, respectively; displays fine pharmacokinetic pro le in rats and dogs.HCV Infection Phase 2 Discontinued.
CAS Number
1026785-59-0
Product Name Alternative
VCH-222 | Lomibuvir
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 32 mg/mL
Smiles
CC1CCC (CC1) C (=O) N (C2CCC (CC2) O) C3=C (SC (=C3) C#CC (C) (C) C) C (=O) O
Molecular Formula
C25H35NO4S
Molecular Weight
445.6147
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Thiophenecarboxylic acid, 5- (3,3-dimethyl-1-butyn-1-yl) -3-[ (cis-4-hydroxycyclohexyl) [ (trans-4-methylcyclohexyl) carbonyl]amino]-

Chemical Information

VX-222

5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid is a thiophenecarboxylic acid.

CAS Number1026785-59-0
PubChem CID24798764
IUPAC Name5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
Molecular FormulaC25H35NO4S
Molecular Weight445.6
XLogP5.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity717
SMILES
CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O
InChI
InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)
InChIKey
WPMJNLCLKAKMLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VX-222
CAS: 1026785-59-0
CID: 24798764
Formula: C25H35NO4S
MW: 445.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.6
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass445.22867977
Monoisotopic Mass445.22867977
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity717
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

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Alternative Products

CatalogName
MBS3600130-01VX-222
MBS132220-01VX 222
C16340-50mgLomibuvir (VX-222)
MBS579262VX-222 (VCH-222, Lomibuvir)

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