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WNTinib

CAT: 0013-GTR19234757-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234757-02Size:50 mg
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Description
WNTinib (APS-8-100-2) is a multi-kinase inhibitor designed to selectively target CTNNB1-mutated hepatocellular carcinoma. It suppresses oncogenic Wnt signaling by inhibiting KIT/MAPK pathways and subsequent EZH2 activation, showing utility in both in vitro and in vivo HCC research models.
CAS Number
2770091-44-4
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O (C=1C=C (C (NC) =O) N=CC1) C2=CC (F) =C (NC (NC3=CC=C (C (C (F) (F) F) (F) F) C=C3) =O) C=C2
Molecular Formula
C22H16F6N4O3
Molecular Weight
498.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

WNTinib
CAS Number2770091-44-4
PubChem CID170535525
IUPAC Name4-[3-fluoro-4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Molecular FormulaC22H16F6N4O3
Molecular Weight498.4
XLogP4.2
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity732
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C22H16F6N4O3/c1-29-19(33)18-11-15(8-9-30-18)35-14-6-7-17(16(23)10-14)32-20(34)31-13-4-2-12(3-5-13)21(24,25)22(26,27)28/h2-11H,1H3,(H,29,33)(H2,31,32,34)
InChIKey
URCPDENSDRVZDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of WNTinib
CAS: 2770091-44-4
CID: 170535525
Formula: C22H16F6N4O3
MW: 498.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass498.11265936
Monoisotopic Mass498.11265936
Topological Polar Surface Area92.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity732
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
BA3152-25WNTinib

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