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M3541

CAT: 0013-GTR19208971-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208971-01Size:1 mg
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Description
M-3541 is a potent, orally bioavailable small molecule inhibitor of ATM kinase. By blocking ATM-mediated DNA damage signaling and repair, it induces apoptosis in ATM-overexpressing tumor cells, supporting its investigation in cancer research both in vitro and in vivo.
CAS Number
1360628-91-6
Product Name Alternative
BI 665915, BI-665915, Apoptosis, ATM, ATR, M 3541, M3541, M-3541
Field of Research
Cell Biology, Molecular Biology, Signal Transduction
Purity
98.97% (May vary between batches)
Solubility
DMSO:2.14 mg/mL (5 mM)
Smiles
O=C1N (C=2C=3C (=CC (OC) =C (C3) C4=CN (C) N=C4) N=CC2N1C) C5=C (F) C=C (C#N) C=C5
Molecular Formula
C23H17FN6O2
Molecular Weight
428.42
Storage Conditions
-20°C
Notes
For research use only.

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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