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PF-562271 hydrochloride

CAT: 0013-GTR19173006-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173006-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-562271 HCl is a potent, selective, and reversible ATP-competitive inhibitor of focal adhesion kinase (FAK) with an IC50 of 1.5 nM. It exhibits >100-fold selectivity over most kinases and has been utilized in both in vitro and in vivo studies to investigate FAK's role in cancer cell migration, invasion, and tumor progression.
CAS Number
939791-41-0
Product Name Alternative
CDK3, CDK2, CDK1, CDK7, Breast, Cancer, Antitumor, inhibit, Inhibitor, Focal adhesion kinase, Ewing, FAK, PYK2, Pyk2, PF562271 hydrochloride, PF562271 Hydrochloride, PF-562271 Hydrochloride, PF-562271 HCl, PF562271, PF-562271, PF 562271 Hydrochloride, PF 562271 hydrochloride, PF 562271, Sarcoma, PTK2 protein tyrosine kinase 2, PTK2, Proline-rich tyrosine kinase 2, VS-6062 (hydrochloride)
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
97.08% (May vary between batches)
Solubility
DMSO:91 mg/mL (167.29 mM)
Smiles
Cl.CN (c1ncccc1CNc1nc (Nc2ccc3NC (=O) Cc3c2) ncc1C (F) (F) F) S (C) (=O) =O
Molecular Formula
C21H20F3N7O3S HCl
Molecular Weight
543.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-562271 HCl
CAS Number939791-41-0
PubChem CID16222312
IUPAC NameN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;hydrochloride
Molecular FormulaC21H21ClF3N7O3S
Molecular Weight544.0
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count36
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.Cl
InChI
InChI=1S/C21H20F3N7O3S.ClH/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);1H
InChIKey
RQEBZJWSAAWCAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-562271 HCl
CAS: 939791-41-0
CID: 16222312
Formula: C21H21ClF3N7O3S
MW: 544.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass543.1067209
Monoisotopic Mass543.1067209
Topological Polar Surface Area138 Ų
Heavy Atom Count36
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 Count2
Compound Is CanonicalizedYes

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