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PF4800567

CAT: 1410-M19870-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M19870-01Size:5 mg
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Description
PF-4800567 is a selective inhibitor of casein kinase 1ε (CK1ε; IC50 = 32 nM) with greater than 20-fold selectivity over CK1δ.
CAS Number
1188296-52-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
359.8
Molecular Formula
C17H18ClN5O2
Notes
Research use only, not for human use.
Receptor
CK1ε

Chemical Information

3-((3-Chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine

PF-4800567 is a pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the isoform of casein kinase 1 (CK1). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an aromatic ether, a pyrazolopyrimidine, a member of oxanes and a member of monochlorobenzenes.

CAS Number1188296-52-7
PubChem CID53472153
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC17H18ClN5O2
Molecular Weight359.8
XLogP2.3
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity439
SMILES
C1COCCC1N2C3=NC=NC(=C3C(=N2)COC4=CC(=CC=C4)Cl)N
InChI
InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
InChIKey
AUMDBEHGJRZSOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-Chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CAS: 1188296-52-7
CID: 53472153
Formula: C17H18ClN5O2
MW: 359.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.8
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass359.1149025
Monoisotopic Mass359.1149025
Topological Polar Surface Area88.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity439
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
MBS3609858-01PF4800567

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