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VX-702

CAT: 0931-T2513-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2513-01Size:5 mg
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CAS Number
745833-23-2
Target
Autophagy, p38 MAPK
Related Pathways
Autophagy, MAPK
Purity
>99.99%
Bioactivity
VX-702 is a highly specific p38α MAPK inhibitor, 14-fold higher selectivity for the p38α than p38β. VX-702 is a small molecule investigational oral anti-cytokine therapy for treatment of inflammatory diseases, specifically rheumatoid arthritis (RA) .
Smiles
NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Molecular Formula
C19H12F4N4O2
Molecular Weight
404.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vx-702

6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinecarboxamide is a phenylpyridine.

CAS Number745833-23-2
PubChem CID10341154
IUPAC Name6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide
Molecular FormulaC19H12F4N4O2
Molecular Weight404.3
XLogP2.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity603
SMILES
C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F
InChI
InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
InChIKey
FYSRKRZDBHOFAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vx-702
CAS: 745833-23-2
CID: 10341154
Formula: C19H12F4N4O2
MW: 404.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.3
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass404.08963829
Monoisotopic Mass404.08963829
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity603
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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