PF-562271

CAT: 1568-C08939-5mgSize: 5 mgDry Ice: YesHazardous: No

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CAT#:1568-C08939-5mgSize:5 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 Number	717907-75-0
PubChem CID	11713159
IUPAC Name	N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
Molecular Formula	C21H20F3N7O3S
Molecular Weight	507.5
XLogP	2
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	856

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

CAS: 717907-75-0

CID: 11713159

Formula: C21H20F3N7O3S

MW: 507.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.5
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	507.13004319
Monoisotopic Mass	507.13004319
Topological Polar Surface Area	138 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	856
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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474161	PF 562271
HY-10459-01	PF-562271

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