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VT103

CAT: 0931-T62077-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T62077-01Size:1 mg
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CAS Number
2290608-13-6
Target
YAP
Related Pathways
Stem Cells
Purity
0.9958
Bioactivity
VT103 is an orally active and selective inhibitor of TEAD1 protein palmitoylation and is an analog of VT101. VT103 has potential antitumor activity by inhibiting YAP/TAZ-TEAD-promoted gene transcriptionment, blocking TEAD auto-palmitoylation, and blocking the interaction between YAP/TAZ and TEAD.VT103 can be used in the study of HER2-positive breast cancer, prostate cancer, and triple-negative breast cancer.
Smiles
CNS(=O)(=O)c1ccc(Nc2ccc(cc2)C(F)(F)F)c(c1)-c1cn(C)cn1
Molecular Formula
C18H17F3N4O2S
Molecular Weight
410.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CAS Number2290608-13-6
PubChem CID137534047
IUPAC NameN-methyl-3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.4
XLogP3.1
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity617
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)C(F)(F)F)C3=CN(C=N3)C
InChI
InChI=1S/C18H17F3N4O2S/c1-22-28(26,27)14-7-8-16(15(9-14)17-10-25(2)11-23-17)24-13-5-3-12(4-6-13)18(19,20)21/h3-11,22,24H,1-2H3
InChIKey
LLCVDQHLYHBAHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CAS: 2290608-13-6
CID: 137534047
Formula: C18H17F3N4O2S
MW: 410.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass410.10243146
Monoisotopic Mass410.10243146
Topological Polar Surface Area84.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity617
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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