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DNA-PK-IN-8

CAT: 0804-HY-146565-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146565-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DNA-PK-IN-8 is a highly potent, selective and orally active DNA-dependent protein kinase (DNA-PK) inhibitor with an IC50 value of 0.8 nM. DNA-PK-IN-8 exhibits synergistic antiproliferative activity against a series of cancer cell lines and significantly suppresses HL-60 tumor growth, when using in combination with Doxorubicin[1].
CAS Number
2823369-81-7
UNSPSC
12352005
Target
DNA-PK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dna-pk-in-8.html
Purity
99.74
Solubility
10 mM in DMSO
Smiles
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(N(CC(N4C)=O)C5CCOCC5)=N3
Molecular Formula
C19H22N8O2
Molecular Weight
394.43
References & Citations
[1]Ding Z, et al. Discovery of novel 7,8-dihydropteridine-6 (5H) -one-based DNA-PK inhibitors as potential anticancer agents via scaffold hopping strategy. Eur J Med Chem. 2022;237:114401.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

DNA-PK-IN-8
CAS Number2823369-81-7
PubChem CID163409152
IUPAC Name5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
Molecular FormulaC19H22N8O2
Molecular Weight394.4
XLogP1.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity603
SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(CC(=O)N4C)C5CCOCC5
InChI
InChI=1S/C19H22N8O2/c1-12-7-16-21-11-22-27(16)9-14(12)23-19-20-8-15-18(24-19)26(10-17(28)25(15)2)13-3-5-29-6-4-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,23,24)
InChIKey
MZQKKBHRPQCGSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-8
CAS: 2823369-81-7
CID: 163409152
Formula: C19H22N8O2
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass394.18657197
Monoisotopic Mass394.18657197
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity603
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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