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DNA-PK-IN-3

CAT: 0931-T61751-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61751-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2734846-19-4
Target
Others, DNA-PK
Related Pathways
PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair, Others
Bioactivity
DNA-PK-IN-3 is a highly potent inhibitor of DNA-PK that exerts a synergistic effect with radiotherapy and chemotherapy, enhancing therapeutic outcomes and significantly inhibiting tumor growth. Additionally, it demonstrates remarkable efficacy in reducing damage to normal cells, thereby minimizing adverse side effects, making it a compound of great potential for cancer research applications[1].
Smiles
N(C=1N=C2N(C=3N(C2=CN1)C=CN3)C4CCOCC4)C5=CN6C(C=C5C)=NC=N6
Molecular Formula
C19H19N9O
Molecular Weight
389.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DNA-PK-IN-3
CAS Number2734846-19-4
PubChem CID156894910
IUPAC NameN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(oxan-4-yl)purino[7,8-a]imidazol-3-amine
Molecular FormulaC19H19N9O
Molecular Weight389.4
XLogP2.3
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity590
SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C5=NC=CN45)C6CCOCC6
InChI
InChI=1S/C19H19N9O/c1-12-8-16-22-11-23-27(16)10-14(12)24-18-21-9-15-17(25-18)28(13-2-6-29-7-3-13)19-20-4-5-26(15)19/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,21,24,25)
InChIKey
FONYQGUKTNGBHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-3
CAS: 2734846-19-4
CID: 156894910
Formula: C19H19N9O
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass389.17125626
Monoisotopic Mass389.17125626
Topological Polar Surface Area99.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity590
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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