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CCT251545

CAT: 0607-B5979-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5979-10Size:10 mg
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Description
Orally bioavailable and potent WNT signaling inhibitor
CAS Number
1661839-45-7
Product Name Alternative
8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
Field of Research
Stem Cell Wnt β-catenin
Purity
0.9917
Form
A solid
Solubility
≥42.2 mg/mL in DMSO; insoluble in H2O; ≥2.33 mg/mL in EtOH with ultrasonic
Smiles
O=C(NCC1)C1(CC2)CCN2C3=C(C4=CC=C(C5=CN(C)N=C5)C=C4)C=NC=C3Cl
Molecular Formula
C23H24ClN5O
Molecular Weight
421.92
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cct251545

CCT251545 is a chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. It has a role as an antineoplastic agent, a Wnt signalling inhibitor and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of pyrazoles, an azaspiro compound and a chloropyridine.

CAS Number1661839-45-7
PubChem CID77050682
IUPAC Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
Molecular FormulaC23H24ClN5O
Molecular Weight421.9
XLogP2.9
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity617
SMILES
CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl
InChI
InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
InChIKey
LBFYQISQYCGDDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cct251545
CAS: 1661839-45-7
CID: 77050682
Formula: C23H24ClN5O
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass421.1669381
Monoisotopic Mass421.1669381
Topological Polar Surface Area63.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity617
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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