For research use only. Not for therapeutic Use.
PARP1-IN-7 is an inhibitor of poly(ADP-ribose) polymerase-1 (PARP1) as an anticancer agent.
Catalog Number | I045206 |
CAS Number | 2084112-75-2 |
Synonyms | 4-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile |
Molecular Formula | C24H23N5O |
Purity | ≥95% |
InChI | InChI=1S/C24H23N5O/c25-16-17-3-6-19(7-4-17)28-10-12-29(13-11-28)20-8-5-18(14-20)22-15-23-21(24(30)27-22)2-1-9-26-23/h1-4,6-7,9,14-15,20H,5,8,10-13H2,(H,27,30)/t20-/m1/s1 |
InChIKey | IBBZXRLLZKUNIM-HXUWFJFHSA-N |
SMILES | C1CC(=CC1N2CCN(CC2)C3=CC=C(C=C3)C#N)C4=CC5=C(C=CC=N5)C(=O)N4 |
Reference | [1]. Karche NP, et al. Discovery of isoquinolinone and naphthyridinone-based inhibitors of poly(ADP-ribose) polymerase-1 (PARP1) as anticancer agents: Structure activity relationship and preclinical characterization. Bioorg Med Chem. 2020 Dec 15;28(24):115819. |