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PF 4800567

CAT: 1568-C08390-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C08390-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1188296-52-7
Target
Casein Kinase
Applications
Cell Cycle
Smiles
C1COCCC1N2C3=NC=NC (=C3C (=N2) COC4=CC (=CC=C4) Cl) N
Molecular Formula
C17H18ClN5O2
Additionnal Information
PF 4800567 is a novel and potent inhibitor of casein kinase 1 epsilon (IC50=32 nM) with greater than 20-fold selectivity over casein kinase 1 delta (IC50=711 nM) .
Storage Conditions
3 years -20°C powder

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

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