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ATM Inhibitor-3

CAT: 0804-HY-144686Size: 1 EachDry Ice: NoHazardous: No
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Description
ATM Inhibitor-3 (compound 34) is a potent and selective ATM inhibitor, with an IC50 of 0.71 nM. ATM Inhibitor-3 shows inhibition of PI3K kinases family. ATM Inhibitor-3 exhibits favorable metabolic stability[1].
CAS Number
2769140-52-3
UNSPSC
12352005
Target
ATM/ATR; mTOR; PI3K
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/atm-inhibitor-3.html
Solubility
10 mM in DMSO
Smiles
COCCN1C(N(C2=C1C3=CC(C4=CC(F)=C(C=C4)NC(NCCN(C)C)=O)=CC=C3N=C2)C)=O
Molecular Formula
C25H29FN6O3
Molecular Weight
480.53
References & Citations
[1]Dimitrov T, et al. Development of novel urea-based ATM kinase inhibitors with subnanomolar cellular potency and high kinome selectivity. Eur J Med Chem. 2022 May 5;235:114234.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ATM; mTOR; PI3K

Chemical Information

ATM Inhibitor-3
CAS Number2769140-52-3
PubChem CID163286301
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
Molecular FormulaC25H29FN6O3
Molecular Weight480.5
XLogP1.8
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity742
SMILES
CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)CCOC)C4=CC(=C(C=C4)NC(=O)NCCN(C)C)F
InChI
InChI=1S/C25H29FN6O3/c1-30(2)10-9-27-24(33)29-21-8-6-17(14-19(21)26)16-5-7-20-18(13-16)23-22(15-28-20)31(3)25(34)32(23)11-12-35-4/h5-8,13-15H,9-12H2,1-4H3,(H2,27,29,33)
InChIKey
LDAMATOMTKLLAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ATM Inhibitor-3
CAS: 2769140-52-3
CID: 163286301
Formula: C25H29FN6O3
MW: 480.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass480.22851697
Monoisotopic Mass480.22851697
Topological Polar Surface Area90 Ų
Heavy Atom Count35
Formal Charge0
Complexity742
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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