For research use only. Not for therapeutic Use.
Simmiparib（Cat No.:I042963）is a potent small molecule inhibitor of poly(ADP-ribose) polymerase (PARP), an enzyme involved in DNA repair. By inhibiting PARP, simmiparib disrupts the repair of single-strand DNA breaks, leading to the accumulation of DNA damage and ultimately cell death, particularly in cancer cells with defective DNA repair mechanisms. This makes it a promising candidate for treating cancers with BRCA mutations and other DNA repair deficiencies. Simmiparib is being investigated in clinical trials for its potential to enhance the effectiveness of chemotherapy and targeted therapies in various cancers.
| CAS Number | 1551355-46-4 |
| Synonyms | 4-[[4-fluoro-3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one |
| Molecular Formula | C23H18F4N6O2 |
| Purity | ≥95% |
| IUPAC Name | 4-[[4-fluoro-3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one |
| InChI | InChI=1S/C23H18F4N6O2/c1-12-10-32(11-19-29-31-22(33(12)19)23(25,26)27)21(35)16-8-13(6-7-17(16)24)9-18-14-4-2-3-5-15(14)20(34)30-28-18/h2-8,12H,9-11H2,1H3,(H,30,34) |
| InChIKey | QNQFPYADHVFRKQ-UHFFFAOYSA-N |
| SMILES | CC1CN(CC2=NN=C(N12)C(F)(F)F)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F |
