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M3541

CAT: 0957-E1512-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1512-01Size:5 mg
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Description
M3541 is a potent and selective inhibitor of ATM kinase activity with an IC50 value of 0.25 nM in cell-free assays. M3541 suppresses double-strand breaks (DSB) repair, clonogenic cancer cell growth and potentiates antitumor activity of ionizing radiation in cancer cell lines.
CAS Number
1360628-91-6
Target
ATM/ATR
Activity
PI3K/Akt/mTOR
Molecular Formula
C23H17FN6O2

Chemical Information

DNA-PK-IN-11
CAS Number1360628-91-6
PubChem CID56847587
IUPAC Name3-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
Molecular FormulaC23H17FN6O2
Molecular Weight428.4
XLogP2.5
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity775
SMILES
CN1C=C(C=N1)C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=C(C=C5)C#N)F)C)OC
InChI
InChI=1S/C23H17FN6O2/c1-28-12-14(10-27-28)15-7-16-18(8-21(15)32-3)26-11-20-22(16)30(23(31)29(20)2)19-5-4-13(9-25)6-17(19)24/h4-8,10-12H,1-3H3
InChIKey
OOCGUVCGJIUQKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-11
CAS: 1360628-91-6
CID: 56847587
Formula: C23H17FN6O2
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass428.13970197
Monoisotopic Mass428.13970197
Topological Polar Surface Area87.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity775
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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CatalogName
C01712-25mgM3541

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