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DNA-PK-IN-7

CAT: 0013-GTR19186846-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186846-01Size:25 mg
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Description
DNA-PK-IN-7 is a highly potent and selective inhibitor of DNA-dependent protein kinase (DNA-PK), exhibiting an IC50 of 1 nM. This compound is a valuable research tool for investigating DNA damage response pathways in oncology research, applicable in both cellular and biochemical assays.
CAS Number
2646592-18-7
Field of Research
Molecular Biology, Signal Transduction
Smiles
O=C1N (C=2C (N1C) =CN=C (NC3=CN4C (C=C3C) =NC=N4) N2) N5CC6OC (C5) CC6
Molecular Formula
C19H21N9O2
Molecular Weight
407.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DNA-PK-IN-7
CAS Number2646592-18-7
PubChem CID156447749
IUPAC Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one
Molecular FormulaC19H21N9O2
Molecular Weight407.4
XLogP1.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity670
SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)N5CC6CCC(C5)O6
InChI
InChI=1S/C19H21N9O2/c1-11-5-16-21-10-22-27(16)9-14(11)23-18-20-6-15-17(24-18)28(19(29)25(15)2)26-7-12-3-4-13(8-26)30-12/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3,(H,20,23,24)
InChIKey
PXXQWMSFNNLRSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-7
CAS: 2646592-18-7
CID: 156447749
Formula: C19H21N9O2
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass407.18182095
Monoisotopic Mass407.18182095
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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