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DNA-PK-IN-10

CAT: 0013-GTR19230663-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230663-01Size:50 mg
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Description
DNA-PK-IN-10 is a potent and selective DNA-PK inhibitor used in cancer research. It is employed in both in vitro and in vivo studies to investigate DNA damage response pathways, particularly in models of breast cancer and non-small cell lung cancer.
CAS Number
2919315-89-0
Field of Research
Molecular Biology, Signal Transduction
Smiles
O=C1N2C=3C (N1C) =CNC (C3) =NC=4C=C5C (=CC4C) N=CC=C5OCCNC6CCC2CC6
Molecular Formula
C25H28N6O2
Molecular Weight
444.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DNA-PK-IN-10
CAS Number2919315-89-0
PubChem CID168432138
IUPAC Name7,24-dimethyl-17-oxa-2,7,9,14,21,30-hexazahexacyclo[16.6.2.23,6.210,13.05,9.022,26]triaconta-1(25),3(30),4,6(29),18(26),19,21,23-octaen-8-one
Molecular FormulaC25H28N6O2
Molecular Weight444.5
XLogP3
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count33
Formal Charge0
Complexity715
SMILES
CC1=CC2=NC=CC3=C2C=C1NC4=NC=C5C(=C4)N(C6CCC(CC6)NCCO3)C(=O)N5C
InChI
InChI=1S/C25H28N6O2/c1-15-11-20-18-12-19(15)29-24-13-21-22(14-28-24)30(2)25(32)31(21)17-5-3-16(4-6-17)26-9-10-33-23(18)7-8-27-20/h7-8,11-14,16-17,26H,3-6,9-10H2,1-2H3,(H,28,29)
InChIKey
QSVVRMCHESMBLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-10
CAS: 2919315-89-0
CID: 168432138
Formula: C25H28N6O2
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass444.22737416
Monoisotopic Mass444.22737416
Topological Polar Surface Area82.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity715
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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