Products for Research Use Only
RegisterLogin

DNA-PK-IN-7

CAT: 0931-T62034-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T62034-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2646592-18-7
Target
DNA-PK, Others
Related Pathways
PI3K/Akt/mTOR signaling, Others, DNA Damage/DNA Repair
Bioactivity
DNA-PK-IN-7 is a potent DNA-PK inhibitor (IC50= 1 nM) (WO2021104277A1, compound 5) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T209814-01DNA-PK-IN-13
T88941-01DNA-PK-IN-14
T86289-01DNA-PK-IN-12
T61633-01DNA-PK-IN-2
T61370-01DNA-PK-IN-6
T62648-01DNA-PK-IN-1
T62191-01DNA-PK-IN-5
T201160-01DNA-PK-IN-15
T61857-01DNA-PK-IN-4
T61533-01DNA-PK-IN-9

Alternative Products

CatalogName
GTR19186846-01DNA-PK-IN-7
522311-01DNA-PK
522306-01DNA PK
BA3954-10DNA-PK-IN-11
HY-146565-01DNA-PK-IN-8
HY-142944DNA-PK-IN-2
399777-01DNA-PK discontinued
MBS8511971-01DNA PK Antibody
MBS8510967-01DNA-PK Antibody
AF6631-BPDNA-PK Peptide

Popular Products