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CCT070535

CAT: 0013-GTR19239072-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239072-01Size:50 mg
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Description
CCT070535 is a small molecule inhibitor of TCF-dependent transcription, exhibiting potent activity in colorectal cancer cell lines with various Wnt pathway mutations (GI50 11.1-17.6 μM) . It is a valuable chemical probe for studying Wnt/β-catenin signaling in both in vitro and in vivo cancer research models.
CAS Number
485319-41-3
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C1C (=C ([O-]) [N+]=2N=C (Cl) C=CC2N1C3=CC=C (Cl) C=C3) CC=4C=CC=CC4
Molecular Formula
C20H13Cl2N3O2
Molecular Weight
398.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-benzyl-7-chloro-1-(4-chlorophenyl)-2-oxo-1H,2H-pyrimido[1,2-b]pyridazin-5-ium-4-olate
CAS Number485319-41-3
PubChem CID5045906
IUPAC Name3-benzyl-7-chloro-1-(4-chlorophenyl)-4-oxopyrimido[1,2-b]pyridazin-1-ium-2-olate
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.2
XLogP4.9
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity742
SMILES
C1=CC=C(C=C1)CC2=C([N+](=C3C=CC(=NN3C2=O)Cl)C4=CC=C(C=C4)Cl)[O-]
InChI
InChI=1S/C20H13Cl2N3O2/c21-14-6-8-15(9-7-14)24-18-11-10-17(22)23-25(18)20(27)16(19(24)26)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
NPHWSYSBGVFAIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-benzyl-7-chloro-1-(4-chlorophenyl)-2-oxo-1H,2H-pyrimido[1,2-b]pyridazin-5-ium-4-olate
CAS: 485319-41-3
CID: 5045906
Formula: C20H13Cl2N3O2
MW: 398.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.2
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass397.0384821
Monoisotopic Mass397.0384821
Topological Polar Surface Area58.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity742
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

Alternative Products

CatalogName
HY-164467CCT070535

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