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β-catenin-IN-7

CAT: 0804-HY-149858Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-149858Size:1 Each
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Description
β-catenin-IN-7 (Compound 9) is a β-catenin inhibitor. β-catenin-IN-7 inhibits the interaction between β-catenin and Tcf-4, and inhibits Wnt-dependent target gene expression. β-catenin-IN-7 has anti-cancer activity[1].
CAS Number
2952779-17-6
UNSPSC
12352005
Target
Wnt
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/β-catenin-in-7.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=CC=C(Br)C=C1)(NC2=CC=C(C3=NC=CC=C3)C=C2)=O
Molecular Formula
C17H13BrN2O2S
Molecular Weight
389.27
References & Citations
[1]Nalli M, et al. Novel N- (Heterocyclylphenyl) benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the β-Catenin Armadillo Repeats Domain as an Anticancer Agent. ACS Pharmacol Transl Sci. 2023 Jul 3;6 (7) :1087-1103.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-bromo-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CAS Number2952779-17-6
PubChem CID168475902
IUPAC Name4-bromo-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.3
XLogP3.7
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity463
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrN2O2S/c18-14-6-10-16(11-7-14)23(21,22)20-15-8-4-13(5-9-15)17-3-1-2-12-19-17/h1-12,20H
InChIKey
RNTHZJWNDRBXRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-bromo-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CAS: 2952779-17-6
CID: 168475902
Formula: C17H13BrN2O2S
MW: 389.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass387.98811
Monoisotopic Mass387.98811
Topological Polar Surface Area67.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity463
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