For research use only. Not for therapeutic Use.
DB-0646, a PROTAC, is a multi-kinase degrader[1].
| Catalog Number | I044102 |
| Synonyms | N-[3-[7-[[6-[4-[[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]triazol-4-yl]methyl]piperazin-1-yl]pyridin-3-yl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide |
| Molecular Formula | C52H51F3N14O7 |
| Purity | ≥95% |
| InChI | InChI=1S/C52H51F3N14O7/c1-31-12-13-35(58-46(71)32-8-6-9-34(24-32)52(53,54)55)25-40(31)68-28-33-26-57-50(61-45(33)64(2)51(68)75)59-36-14-16-42(56-27-36)66-21-19-65(20-22-66)29-37-30-67(63-62-37)18-4-3-5-23-76-41-11-7-10-38-44(41)49(74)69(48(38)73)39-15-17-43(70)60-47(39)72/h6-14,16,24-27,30,39H,3-5,15,17-23,28-29H2,1-2H3,(H,58,71)(H,57,59,61)(H,60,70,72) |
| InChIKey | BDNROHBTZXVJDB-UHFFFAOYSA-N |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)N6CCN(CC6)CC7=CN(N=N7)CCCCCOC8=CC=CC9=C8C(=O)N(C9=O)C1CCC(=O)NC1=O |
| Reference | [1]. Katherine A Donovan, et al. Mapping the Degradable Kinome Provides a Resource for Expedited Degrader Development. Cell. 2020 Dec 10;183(6):1714-1731.e10. |
