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ATM Inhibitor-6

CAT: 0013-GTR19235581-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235581-01Size:25 mg
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Description
ATM inhibitor-6 (A-193) is a potent and selective small molecule inhibitor of the ATM kinase. It is widely used in cancer research to investigate DNA damage response pathways, with applications in both in vitro cellular studies and in vivo preclinical models.
CAS Number
2765544-85-0
Field of Research
Molecular Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
CN1C2=C3C4=C (C (=C (F) C=C4N=C2) C=5C=CC (OCCCN6CCCCC6) =NC5) NCC (C) (C) N3C1=O
Molecular Formula
C28H33FN6O2
Molecular Weight
504.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ATM Inhibitor-6
CAS Number2765544-85-0
PubChem CID168432131
IUPAC Name10-fluoro-2,5,5-trimethyl-9-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-2,4,7,13-tetrazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
Molecular FormulaC28H33FN6O2
Molecular Weight504.6
XLogP3.8
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity824
SMILES
CC1(CNC2=C3C(=CC(=C2C4=CN=C(C=C4)OCCCN5CCCCC5)F)N=CC6=C3N1C(=O)N6C)C
InChI
InChI=1S/C28H33FN6O2/c1-28(2)17-32-25-23(18-8-9-22(31-15-18)37-13-7-12-34-10-5-4-6-11-34)19(29)14-20-24(25)26-21(16-30-20)33(3)27(36)35(26)28/h8-9,14-16,32H,4-7,10-13,17H2,1-3H3
InChIKey
ODDGVJISFYQSBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ATM Inhibitor-6
CAS: 2765544-85-0
CID: 168432131
Formula: C28H33FN6O2
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass504.26490248
Monoisotopic Mass504.26490248
Topological Polar Surface Area73.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity824
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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