For research use only. Not for therapeutic Use.
PROTAC PARP1 degrader is a PARP1 degrader based on MDM2 E3 ligand. It induces significant PARP1 cleavage and programmed cell death. PROTAC PARP1 degrader at 10 μM at 24 h inhibits MDA-MB-231 cell line with an IC50 of 6.12 μM.
| Catalog Number | I019065 |
| CAS Number | 2369022-68-2 |
| Synonyms | 2-[4-[1-[2-[2-[2-[2-[2-[[2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]indazole-7-carboxamide |
| Molecular Formula | C58H63Cl2N11O10 |
| Purity | ≥95% |
| InChI | InChI=1S/C58H63Cl2N11O10/c1-38(2)81-50-33-46(76-3)19-20-47(50)57-63-54(40-7-13-43(59)14-8-40)55(41-9-15-44(60)16-10-41)71(57)58(75)68-23-22-67(52(73)37-68)36-51(72)62-21-25-77-27-29-79-31-32-80-30-28-78-26-24-69-35-49(64-66-69)39-11-17-45(18-12-39)70-34-42-5-4-6-48(56(61)74)53(42)65-70/h4-20,33-35,38,54-55H,21-32,36-37H2,1-3H3,(H2,61,74)(H,62,72)/t54-,55+/m1/s1 |
| InChIKey | RQWKTYKJNCZUJW-OMUYKDLESA-N |
| SMILES | CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCN(C(=O)C3)CC(=O)NCCOCCOCCOCCOCCN4C=C(N=N4)C5=CC=C(C=C5)N6C=C7C=CC=C(C7=N6)C(=O)N)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl |
| Reference | [1]. Zhao Q, et al. Induction of apoptosis in MDA-MB-231 breast cancer cells by a PARP1-targeting PROTAC small molecule. Chem Commun (Camb). 2019 Jan 2;55(3):369-372. |
