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PF-562271

CAT: 1568-C17125-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C17125-100mgSize:100 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
Synonyms
PF-00562271
Target
FAK
Applications
Protein Tyrosine Kinase
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
Molecular Formula
C21H20F3N7O3S
Additionnal Information
PF-562271 (PF-00562271) is a potent, ATP-competitive, reversible inhibitor of FAK with IC50 of 1.5 nM in cell-free assays, ~10-fold less potent for Pyk2 than FAK and >100-fold selectivity against other protein kinases, except for some CDKs.
Storage Conditions
2 years -80 in solvent

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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