For research use only. Not for therapeutic Use.
PARP-2-IN-1 is a potent and selective PARP-2 inhibitor with an IC50 of 11.5 nM.
| Catalog Number | I019559 |
| CAS Number | 2115698-83-2 |
| Synonyms | (3S)-N-[5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoropyridin-3-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide |
| Molecular Formula | C21H19F4N5O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C21H19F4N5O3/c22-17-15(27-18(31)13-5-6-29(10-13)11-21(23,24)25)7-12(8-26-17)9-30-16-4-2-1-3-14(16)19(32)28-20(30)33/h1-4,7-8,13H,5-6,9-11H2,(H,27,31)(H,28,32,33)/t13-/m0/s1 |
| InChIKey | JZKVDRXHUJSBJE-ZDUSSCGKSA-N |
| SMILES | C1CN(CC1C(=O)NC2=C(N=CC(=C2)CN3C4=CC=CC=C4C(=O)NC3=O)F)CC(F)(F)F |
| Reference | [1]. Zhao H, et al. Discovery of novel quinazoline-2,4(1H,3H)-dione derivatives as potent PARP-2 selective inhibitors. Bioorg Med Chem. 2017 Aug 1;25(15):4045-4054. |
