Products for Research Use Only
RegisterLogin

DNA-PK-IN-1

CAT: 0013-GTR19185945-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19185945-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DNA-PK-IN-1 is a potent and selective DNA-PK inhibitor used in cancer research. It is employed in vitro to study DNA damage response and in vivo to investigate its potential as a radiosensitizer in preclinical models of oncology.
CAS Number
2663850-40-4
Field of Research
Molecular Biology, Signal Transduction
Smiles
O=C1N (C23CC4 (O) CC (C2) CC (C3) C4) C=5C (N1C) =CN=C (NC6=CN7C (C=C6C) =NC=N7) N5
Molecular Formula
C23H26N8O2
Molecular Weight
446.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DNA-PK-IN-1
CAS Number2663850-40-4
PubChem CID156571290
IUPAC Name9-(3-hydroxy-1-adamantyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
Molecular FormulaC23H26N8O2
Molecular Weight446.5
XLogP1.9
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity812
SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C56CC7CC(C5)CC(C7)(C6)O
InChI
InChI=1S/C23H26N8O2/c1-13-3-18-25-12-26-30(18)10-16(13)27-20-24-9-17-19(28-20)31(21(32)29(17)2)22-5-14-4-15(6-22)8-23(33,7-14)11-22/h3,9-10,12,14-15,33H,4-8,11H2,1-2H3,(H,24,27,28)
InChIKey
LUNNHYMBXZPWBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA-PK-IN-1
CAS: 2663850-40-4
CID: 156571290
Formula: C23H26N8O2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass446.21787210
Monoisotopic Mass446.21787210
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity812
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

Related Products

CatalogName
GTR19186846-01DNA-PK-IN-7
GTR19186422-01DNA-PK-IN-5
GTR19262453-01DNA-PK-IN-13
GTR19186695-01DNA-PK-IN-8
GTR19239623-01DNA-PK-IN-15
GTR19235476-01DNA-PK-IN-12
GTR18057487-01DNA-PK Antibody
GTR19238407-01DNA-PK-IN-14
GTR19187183-01DNA-PK-IN-6
GTR19187008-01DNA-PK-IN-9

Alternative Products

CatalogName
T62648-01DNA-PK-IN-1
522311-01DNA-PK
522306-01DNA PK
BA3954-10DNA-PK-IN-11
HY-146565-01DNA-PK-IN-8
HY-142944DNA-PK-IN-2
T209814-01DNA-PK-IN-13
T88941-01DNA-PK-IN-14
T86289-01DNA-PK-IN-12
399777-01DNA-PK discontinued

Popular Products