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FAK-IN-3

CAT: 0804-HY-143407Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-143407Size:1 Each
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Description
FAK-IN-3 (Compound 36) is a potent inhibitor of focal adhesion kinase (FAK) . FAK-IN-3 not only decreases migration and invasion of PA-1 cells, but also reduces expression of MMP-2 and MMP-9. FAK-IN-3 inhibits tumor growth and metastasis, and no obvious adverse effects. FAK-IN-3 has the potential for the research of ovarian cancer[1].
CAS Number
2882094-29-1
UNSPSC
12352005
Target
FAK
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fak-in-3.html
Solubility
10 mM in DMSO
Smiles
COC1=CC(C(NC2CCNCC2)=O)=CC=C1NC3=NC4=C(C(OC5=CC=CC6=C5C(CC6)=O)=N3)C=CN4
Molecular Formula
C28H28N6O4
Molecular Weight
512.56
References & Citations
[1]Wei W, et al. Design, synthesis and biological evaluation of 7- ((7H-pyrrolo[2,3-d]pyrimidin-4-yl) oxy) -2,3-dihydro-1H-inden-1-one derivatives as potent FAK inhibitors for the treatment of ovarian cancer. Eur J Med Chem. 2022;228:113978.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fak-IN-3
CAS Number2882094-29-1
PubChem CID163322011
IUPAC Name3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
Molecular FormulaC28H28N6O4
Molecular Weight512.6
XLogP3.5
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity840
SMILES
COC1=C(C=CC(=C1)C(=O)NC2CCNCC2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC6=C5C(=O)CC6
InChI
InChI=1S/C28H28N6O4/c1-37-23-15-17(26(36)31-18-9-12-29-13-10-18)5-7-20(23)32-28-33-25-19(11-14-30-25)27(34-28)38-22-4-2-3-16-6-8-21(35)24(16)22/h2-5,7,11,14-15,18,29H,6,8-10,12-13H2,1H3,(H,31,36)(H2,30,32,33,34)
InChIKey
MQPJMMSBMYBLJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fak-IN-3
CAS: 2882094-29-1
CID: 163322011
Formula: C28H28N6O4
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass512.21720340
Monoisotopic Mass512.21720340
Topological Polar Surface Area130 Ų
Heavy Atom Count38
Formal Charge0
Complexity840
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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