Products for Research Use Only
RegisterLogin

PARP1-IN-21

CAT: 0013-GTR19234011-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19234011-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PARP1-IN-21 is a potent small molecule inhibitor of PARP1 with an IC50 below 10 nM. It is a valuable research tool for studying DNA repair mechanisms in vitro and has shown utility in preclinical cancer models investigating synthetic lethality.
CAS Number
2855979-51-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Smiles
O=C (NC) C=1N=CC (=CC1) C2=CCN (CC=3C=NC=4C=C (C (=O) NC4C3) CC) CC2
Molecular Formula
C23H25N5O2
Molecular Weight
403.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Parp1-IN-21
CAS Number2855979-51-8
PubChem CID166021813
IUPAC Name5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
Molecular FormulaC23H25N5O2
Molecular Weight403.5
XLogP1.4
Topological Polar Surface Area87.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity718
SMILES
CCC1=CC2=C(C=C(C=N2)CN3CCC(=CC3)C4=CN=C(C=C4)C(=O)NC)NC1=O
InChI
InChI=1S/C23H25N5O2/c1-3-16-11-20-21(27-22(16)29)10-15(12-25-20)14-28-8-6-17(7-9-28)18-4-5-19(26-13-18)23(30)24-2/h4-6,10-13H,3,7-9,14H2,1-2H3,(H,24,30)(H,27,29)
InChIKey
BOKCRBOZYPDNIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parp1-IN-21
CAS: 2855979-51-8
CID: 166021813
Formula: C23H25N5O2
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass403.20082506
Monoisotopic Mass403.20082506
Topological Polar Surface Area87.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity718
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

Related Products

CatalogName
GTR19234176-01PARP7-IN-21
GTR17692778PARP PARP1 Rabbit Monoclonal Antibody
GTR17694169PARP/PARP1 Mouse Monoclonal Antibody
GTR17694166PARP/PARP1 Mouse Monoclonal Antibody
GTR17691928PARP PARP1 Rabbit Monoclonal Antibody
GTR17694167PARP/PARP1 Mouse Monoclonal Antibody
GTR17691245PARP/PARP1 Rabbit Polyclonal Antibody
GTR18126734PARP1 Antibody
GTR18121609PARP1 Antibody
GTR18137530PARP1 Antibody

Alternative Products

CatalogName
T88204-01PARP1-IN-21
327539-01PARP1
BA4384-1PARP1-IN-11
HY-178032PARP1-IN-44
HY-173446PARP1-IN-38
HY-169575PARP1-IN-36
70R-49344PARP1 antibody
T212253-01PARP1-IN-42
T206871-01PARP1-IN-37
T204810-01PARP1-IN-35

Popular Products