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DNA-PK-IN-14

CAT: 0013-GTR19238407-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238407-01Size:25 mg
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Description
DNA-PK-IN-14 (compound 78) is a highly selective, orally active DNA-PK inhibitor with an IC50 of 7.95 nM. It functions as a radiosensitizer in cancer research, showing potential for in vitro and in vivo studies to enhance the efficacy of radiotherapy in oncology.
CAS Number
2766001-96-9
Smiles
O=C1N (C2=CN=C (C=C2N1C3CCOCC3) NC4=CC=C (OC) C=C4C) C
Molecular Formula
C20H24N4O3
Molecular Weight
368.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DNA-PK-IN-14
CAS Number2766001-96-9
PubChem CID163220005
IUPAC Name6-(4-methoxy-2-methylanilino)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
Molecular FormulaC20H24N4O3
Molecular Weight368.4
XLogP2.5
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity527
SMILES
CC1=C(C=CC(=C1)OC)NC2=NC=C3C(=C2)N(C(=O)N3C)C4CCOCC4
InChI
InChI=1S/C20H24N4O3/c1-13-10-15(26-3)4-5-16(13)22-19-11-17-18(12-21-19)23(2)20(25)24(17)14-6-8-27-9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,21,22)
InChIKey
OFWQGRBXWVWGSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-14
CAS: 2766001-96-9
CID: 163220005
Formula: C20H24N4O3
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass368.18484064
Monoisotopic Mass368.18484064
Topological Polar Surface Area66.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity527
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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T88941-01DNA-PK-IN-14
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