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BI-4464

CAT: 0013-GTR19169695-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169695-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-4464 is a potent and selective ATP-competitive inhibitor of PTK2/FAK, demonstrating an IC50 of 17 nM. This small molecule serves as a ligand for PROTAC development and is utilized in cancer research to study focal adhesion signaling in both cellular and animal models.
CAS Number
1227948-02-8
Product Name Alternative
BI 4464, BI4464, BI-4464, Focal adhesion kinase, FAK, inhibit, Inhibitor, Ligands for Target Protein for PROTAC, LigandsforTargetProteinforPROTAC, Target Protein-binding Moiety, PTK2, PTK2 protein tyrosine kinase 2, PTK2/FAK
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
97.43% (May vary between batches)
Solubility
DMSO:16.67 mg/mL (30.01 mM)
Smiles
O (C1=C2C (CCC2=O) =CC=C1) C=3C (C (F) (F) F) =CN=C (NC4=C (OC) C=C (C (NC5CCN (C) CC5) =O) C=C4) N3
Molecular Formula
C28H28F3N5O4
Molecular Weight
555.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Methoxy-N-(1-methylpiperidin-4-yl)-4-((4-((3-oxo-2,3-dihydro-1H-inden-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
CAS Number1227948-02-8
PubChem CID58522530
IUPAC Name3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
Molecular FormulaC28H28F3N5O4
Molecular Weight555.5
XLogP4.4
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity886
SMILES
CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC
InChI
InChI=1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)
InChIKey
QUSSZSMDFABHLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-N-(1-methylpiperidin-4-yl)-4-((4-((3-oxo-2,3-dihydro-1H-inden-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
CAS: 1227948-02-8
CID: 58522530
Formula: C28H28F3N5O4
MW: 555.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass555.20933888
Monoisotopic Mass555.20933888
Topological Polar Surface Area106 Ų
Heavy Atom Count40
Formal Charge0
Complexity886
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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