Products for Research Use Only

β-catenin-IN-37

CAT: 0931-T39200Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T39200Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1783856-40-5
Target
Others, Wnt/beta-catenin
Related Pathways
Cytoskeletal Signaling, Others, Stem Cells
Bioactivity
β-Catenin-IN-37 is a selective inhibitor of the protein-protein interaction between β-Catenin and T-cell factor (Tcf), known as β-catenin/Tcf PPI. It effectively inhibits canonical Wnt signaling and impedes the growth of colorectal cancer cells SW480 and HCT116, with IC50 values of 20 μM and 31 μM, respectively.
Smiles
C(Cn1c2ccccc2c2nc3nonc3nc12)c1nnn[nH]1
Molecular Formula
C13H9N9O
Molecular Weight
307.277
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

beta-catenin-IN-37
CAS Number1783856-40-5
PubChem CID122180712
IUPAC Name8-[2-(2H-tetrazol-5-yl)ethyl]-13-oxa-8,10,12,14,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaene
Molecular FormulaC13H9N9O
Molecular Weight307.27
XLogP1
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity440
SMILES
C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3N2CCC5=NNN=N5
InChI
InChI=1S/C13H9N9O/c1-2-4-8-7(3-1)10-13(15-12-11(14-10)18-23-19-12)22(8)6-5-9-16-20-21-17-9/h1-4H,5-6H2,(H,16,17,20,21)
InChIKey
GQIVONMEFNDYFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-catenin-IN-37
CAS: 1783856-40-5
CID: 122180712
Formula: C13H9N9O
MW: 307.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight307.27
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass307.09300594
Monoisotopic Mass307.09300594
Topological Polar Surface Area124 Ų
Heavy Atom Count23
Formal Charge0
Complexity440
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