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CCT251545

CAT: 0498-bs-6929C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6929C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1661839-45-7
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CN1C=C(C=N1)C1C=CC(=CC=1)C1=CN=CC(Cl)=C1N1CCC2(CCNC2=O)CC1
Molecular Formula
C23 H24 Cl N5 O
Molecular Weight
421.92
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)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

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

Alternative Products

CatalogName
MBS5754686CCT251545
A16216-100CCT251545 100mg
A16216-5CCT251545 5mg
A16216-1CCT251545 1mg
A16216-50CCT251545 50mg
A16216-25CCT251545 25mg

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