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ATM Inhibitor-1

CAT: 0013-GTR19206544-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206544-01Size:25 mg
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Description
ATM Inhibitor-1 is a potent, selective, and orally bioavailable small molecule inhibitor of ATM kinase with an IC50 of 0.7 nM. It demonstrates significant anti-tumor activity in preclinical models and exhibits high selectivity over related kinases like mTOR, DNA-PK, and PI3K isoforms. This compound is a valuable chemical probe for investigating DNA damage response pathways in cancer research, both in vitro and in vivo.
CAS Number
2135639-94-8
Field of Research
Molecular Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
N ([C@@H] (C) C1CCOCC1) C=2C3=C (N=NC2C (NC) =O) C=CC (=C3) C=4C=CC (OCCCN (C) C) =NC4
Molecular Formula
C27H36N6O3
Molecular Weight
492.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ATM Inhibitor-1
CAS Number2135639-94-8
PubChem CID130453737
IUPAC Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
Molecular FormulaC27H36N6O3
Molecular Weight492.6
XLogP3.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity676
SMILES
C[C@@H](C1CCOCC1)NC2=C(N=NC3=C2C=C(C=C3)C4=CN=C(C=C4)OCCCN(C)C)C(=O)NC
InChI
InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1
InChIKey
SJOFSBIUJPEXTG-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of ATM Inhibitor-1
CAS: 2135639-94-8
CID: 130453737
Formula: C27H36N6O3
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass492.28488903
Monoisotopic Mass492.28488903
Topological Polar Surface Area102 Ų
Heavy Atom Count36
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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