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PF-562271 (hydrochloride)

CAT: 0804-HY-20403Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-20403Size:5 mg
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Description
PF-562271 (VS-6062) hydrochloride is a potent, ATP-competitive and reversible FAK and Pyk2 kinase inhibitor with IC50s of 1.5 nM and 13 nM, respectively[1].
CAS Number
939791-41-0
Product Name Alternative
VS-6062 (hydrochloride)
UNSPSC
12352005
Target
FAK; Pyk2
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pf-562271-hydrochloride.html
Purity
98.10
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CS(=O)(N(C1=NC=CC=C1CNC2=NC(NC3=CC4=C(NC(C4)=O)C=C3)=NC=C2C(F)(F)F)C)=O.[H]Cl
Molecular Formula
C21H21ClF3N7O3S
Molecular Weight
543.95
References & Citations
[1]Roberts WG, et al. Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271. Cancer Res, 2008, 68 (6), 1935-1944.|[2]Crompton BD, et al. High-throughput tyrosine kinase activity profiling identifies FAK as a candidate therapeutic target in Ewing sarcoma. Cancer Res. 2013 May 1;73 (9) :2873-83.|[3]Bagi CM, et al. Dual focal adhesion kinase/Pyk2 inhibitor has positive effects on bone tumors: implications for bone metastases. Cancer. 2008 May 15;112 (10) :2313-21.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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