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β-catenin-IN-2

CAT: 0804-HY-136464-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136464-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
β-catenin-IN-2 (Compound H1B1) is a potent β-catenin inhibitor. β-catenin-IN-2 can be used for the study of colorectal cancer[1].
CAS Number
1458664-10-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
β-catenin
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-2.html
Purity
99.55
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
CN(C)C1=CC=C(C2=NC3=CC=C(F)C=C3N2)C=C1
Molecular Formula
C15H14FN3
Molecular Weight
255.29
Precautions
H302, H315, H319, H335
References & Citations
[1]Ann Marie Bode, et al. Inhibitors of beta-catenin in treatment of colorectal cancer. Patent US20150374662A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

beta-catenin-IN-2
CAS Number1458664-10-2
PubChem CID60979451
IUPAC Name4-(6-fluoro-1H-benzimidazol-2-yl)-N,N-dimethylaniline
Molecular FormulaC15H14FN3
Molecular Weight255.29
XLogP3.5
Topological Polar Surface Area31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity302
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)F
InChI
InChI=1S/C15H14FN3/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKey
ALWZHAOGGMSYPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-catenin-IN-2
CAS: 1458664-10-2
CID: 60979451
Formula: C15H14FN3
MW: 255.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.29
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass255.11717562
Monoisotopic Mass255.11717562
Topological Polar Surface Area31.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity302
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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Alternative Products

CatalogName
BA9142-1β-catenin-IN-2
sc-376805β-catenin (H-2)
BUP07756-01SS-catenin-IN-2
T87274-01PTK7/β-catenin-IN-2
sc-514116γ-catenin (F-2)
GTR19230706-01β-Catenin modulator-2
sc-515074β-catenin (E-2)
MBS5786501beta-catenin-IN-2
GTR19234780-01Wnt/β-catenin-IN-2
221362-01Catenin-alpha1/2 (Catenin alpha-1, Alpha E-catenin, Cadherin-Associated Protein, Renal Carcinoma Antigen NY-REN-13, CTNNA1, Catenin-alpha1, Catenin alpha1, alphaE-catenin, Catenin alpha-2, Alpha N-catenin, Alpha-catenin-Related Protein, CTNNA2, CAPR, Catenin-alpha2, Catenin alpha2, alphaN-catenin) discontinued

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