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VNT-101

CAT: 0931-T212391-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T212391-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2894060-67-2
Target
Influenza Virus
Related Pathways
Microbiology/Virology
Bioactivity
VNT-101 is an orally active inhibitor of influenza A virus (IAV) . It disrupts NP-NP protein interactions, preventing NP oligomerization and destabilizing the viral ribonucleoprotein (RNP) complex, showing potent antiviral activity against multiple influenza A virus subtypes. In cell-based cytopathic effect (CPE) assays, VNT-101 has an EC50 value of 4-5 nM, while it measures 4-8 nM in neuraminidase (NA) assays and 21-45 nM in ribonucleoprotein (RNP) assays. Demonstrating strong in vivo antiviral efficacy, VNT-101 protects against lethal H1N1 virus infection in mice. VNT-101 is applicable to influenza A virus infection research.
Smiles
C(F)(F)(F)C1=C(C=C(C(N)=O)C(=O)N1)C2=CC=C(OC[C@H]3O[C@](COC)(C)COC3)C=C2
Molecular Formula
C21H23F3N2O6
Molecular Weight
456.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[4-[[(2S,6S)-6-(methoxymethyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CAS Number2894060-67-2
PubChem CID166486993
IUPAC Name5-[4-[[(2S,6S)-6-(methoxymethyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
Molecular FormulaC21H23F3N2O6
Molecular Weight456.4
XLogP1.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity789
SMILES
C[C@@]1(COC[C@H](O1)COC2=CC=C(C=C2)C3=C(NC(=O)C(=C3)C(=O)N)C(F)(F)F)COC
InChI
InChI=1S/C21H23F3N2O6/c1-20(10-29-2)11-30-8-14(32-20)9-31-13-5-3-12(4-6-13)15-7-16(18(25)27)19(28)26-17(15)21(22,23)24/h3-7,14H,8-11H2,1-2H3,(H2,25,27)(H,26,28)/t14-,20-/m0/s1
InChIKey
HXRWEQWZOYMDOW-XOBRGWDASA-N
Chemical Structure
2D Structure
2D structure of 5-[4-[[(2S,6S)-6-(methoxymethyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CAS: 2894060-67-2
CID: 166486993
Formula: C21H23F3N2O6
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass456.15082094
Monoisotopic Mass456.15082094
Topological Polar Surface Area109 Ų
Heavy Atom Count32
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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