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PF-562271

CAT: 0931-T2465-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T2465-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
717907-75-0
Target
FAK, PYK2, CDK
Related Pathways
Tyrosine Kinase/Adaptors, Cytoskeletal Signaling, Cell Cycle/Checkpoint, Angiogenesis
Purity
>99.99%
Bioactivity
PF-562271 is an effective ATP-competitive, reversible inhibitor of FAK (IC50=1.5 nM) and Pyk2 kinase (IC50=13 nM) .
Smiles
CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Molecular Formula
C21H20F3N7O3S
Molecular Weight
507.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PF-562271

N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]methanesulfonamide is a member of indoles.

CAS Number717907-75-0
PubChem CID11713159
IUPAC NameN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
Molecular FormulaC21H20F3N7O3S
Molecular Weight507.5
XLogP2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity856
SMILES
CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C
InChI
InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
InChIKey
MZDKLVOWGIOKTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-562271
CAS: 717907-75-0
CID: 11713159
Formula: C21H20F3N7O3S
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass507.13004319
Monoisotopic Mass507.13004319
Topological Polar Surface Area138 Ų
Heavy Atom Count35
Formal Charge0
Complexity856
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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