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Wnt pathway inhibitor 5

CAT: 0931-T205136-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205136-01Size:10 mg
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CAS Number
1385817-77-5
Target
Wnt/beta-catenin
Related Pathways
Stem Cells, Cytoskeletal Signaling
Bioactivity
Wntpathway inhibitor 5 (Compound 28) is an effective wntpathway inhibitor with an IC50 value of less than 0.003 μM. This compound can suppress various types of cancers such as ovarian teratoma, breast cancer, osteosarcoma, and head and neck squamous cell carcinoma.
Smiles
FC1=NC=CC(=C1)C=2C=CC(=CC2F)CNC3=NC=CC=4C=C(N=CC43)C=5C=CN=C(C5)C
Molecular Formula
C26H19F2N5
Molecular Weight
439.459
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-Fluoro-4-(2-fluoropyridin-4-YL)benzyl)-6-(2-methylpyridin-4-YL)-2,7-naphthyridin-1-amine
CAS Number1385817-77-5
PubChem CID71618585
IUPAC NameN-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
Molecular FormulaC26H19F2N5
Molecular Weight439.5
XLogP4.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity623
SMILES
CC1=NC=CC(=C1)C2=NC=C3C(=C2)C=CN=C3NCC4=CC(=C(C=C4)C5=CC(=NC=C5)F)F
InChI
InChI=1S/C26H19F2N5/c1-16-10-20(6-7-29-16)24-12-18-5-9-31-26(22(18)15-32-24)33-14-17-2-3-21(23(27)11-17)19-4-8-30-25(28)13-19/h2-13,15H,14H2,1H3,(H,31,33)
InChIKey
LQBIMMCPTIPDGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Fluoro-4-(2-fluoropyridin-4-YL)benzyl)-6-(2-methylpyridin-4-YL)-2,7-naphthyridin-1-amine
CAS: 1385817-77-5
CID: 71618585
Formula: C26H19F2N5
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass439.16085195
Monoisotopic Mass439.16085195
Topological Polar Surface Area63.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity623
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