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FAK-IN-24

CAT: 0804-HY-168899Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-168899Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FAK-IN-24 (Compound 9f) is a FAK inhibitor (IC50: 0.815 nM) . FAK-IN-24 induces DNA damage and apoptosis. FAK-IN-24 has anti-glioblastoma activity. FAK-IN-24 inhibits proliferation of glioblastoma cell lines U87-MG (IC50 = 15 nM) and U251 (IC50 = 20 nM) . FAK-IN-24 inhibits tumor growth in U87-MG xenograft model[1].
CAS Number
3062175-62-3
UNSPSC
12352211
Target
Apoptosis; FAK
Related Pathways
Apoptosis; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Smiles
O=C(CCCC1=CC=C(N(CCCl)CCCl)C=C1)OCCN2CCN(CC2)C3=CC=C(NC4=NC=C(C(F)(F)F)C(NC5=C(C(NC)=O)C=CC=C5)=N4)C=C3
Molecular Formula
C39H45Cl2F3N8O3
Molecular Weight
801.73
References & Citations
[1]Wei Y, et al. Discovery of noncovalent diaminopyrimidine-based Inhibitors for glioblastoma via a dual FAK/DNA targeting strategy. Eur J Med Chem. 2025 Mar 15;286:117288.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fak-IN-24
CAS Number3062175-62-3
PubChem CID172677379
IUPAC Name2-[4-[4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Molecular FormulaC39H45Cl2F3N8O3
Molecular Weight801.7
XLogP8
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Heavy Atom Count55
Formal Charge0
Complexity1130
SMILES
CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)N4CCN(CC4)CCOC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl
InChI
InChI=1S/C39H45Cl2F3N8O3/c1-45-37(54)32-6-2-3-7-34(32)48-36-33(39(42,43)44)27-46-38(49-36)47-29-11-15-31(16-12-29)52-23-21-50(22-24-52)25-26-55-35(53)8-4-5-28-9-13-30(14-10-28)51(19-17-40)20-18-41/h2-3,6-7,9-16,27H,4-5,8,17-26H2,1H3,(H,45,54)(H2,46,47,48,49)
InChIKey
NTOYIQULHFDSNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fak-IN-24
CAS: 3062175-62-3
CID: 172677379
Formula: C39H45Cl2F3N8O3
MW: 801.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight801.7
XLogP38
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Exact Mass800.2943772
Monoisotopic Mass800.2943772
Topological Polar Surface Area115 Ų
Heavy Atom Count55
Formal Charge0
Complexity1130
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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