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DNA-PK-IN-6

CAT: 0013-GTR19187183-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187183-01Size:25 mg
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Description
DNA-PK-IN-6 is a potent and selective DNA-PKcs inhibitor that disrupts DNA repair in tumor cells, leading to apoptosis. It is used in research to radiosensitize tumors and overcome drug resistance in various cancer models, including in vitro cell studies and in vivo xenograft experiments.
CAS Number
2711810-41-0
Field of Research
Molecular Biology, Signal Transduction
Smiles
CN1C2=C3N (C1=O) CCCCCC=4N5C=C (N=C (N3) N=C2) C (C) =CC5=NC4
Molecular Formula
C19H21N7O
Molecular Weight
363.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DNA-PK-IN-6
CAS Number2711810-41-0
PubChem CID163196333
IUPAC Name7,20-dimethyl-2,4,7,9,17,22,24-heptazapentacyclo[13.5.2.23,6.05,9.018,22]tetracosa-1(21),3(24),4,6(23),15,17,19-heptaen-8-one
Molecular FormulaC19H21N7O
Molecular Weight363.4
XLogP2.8
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
CC1=CC2=NC=C3N2C=C1NC4=NC=C5C(=N4)N(CCCCC3)C(=O)N5C
InChI
InChI=1S/C19H21N7O/c1-12-8-16-20-9-13-6-4-3-5-7-25-17-15(24(2)19(25)27)10-21-18(23-17)22-14(12)11-26(13)16/h8-11H,3-7H2,1-2H3,(H,21,22,23)
InChIKey
DXOSNFFQQVJOOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-6
CAS: 2711810-41-0
CID: 163196333
Formula: C19H21N7O
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass363.18075832
Monoisotopic Mass363.18075832
Topological Polar Surface Area78.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
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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