For research use only. Not for therapeutic Use.
PROTAC BRD4 Degrader-12 (compound 9c) is a PROTAC connected by ligands for von Hippel-Lindau and BRD4. PROTAC BRD4 Degrader-12 can be conjugated with STEAP1 and CLL1 antibodies to degrade the BRD4 protein in PC3 prostate cancer cells, with a DC50 of 0.39 nM and 0.24 nM, respectively[1].
| Catalog Number | I044590 |
| CAS Number | 2417370-90-0 |
| Synonyms | [(3R,5S)-1-[(2S)-2-[11-[[8-(3,5-difluoropyridin-2-yl)-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carbonyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] 3-methylsulfonylsulfanylbutan-2-yl carbonate |
| Molecular Formula | C62H77F2N9O12S4 |
| Purity | ≥95% |
| InChI | InChI=1S/C62H77F2N9O12S4/c1-36-54(86-35-69-36)40-21-19-39(20-22-40)28-68-58(76)50-26-44(85-61(79)84-37(2)38(3)87-89(9,82)83)32-73(50)60(78)55(62(4,5)6)70-51(74)18-16-14-12-10-11-13-15-17-23-65-57(75)45-27-49-46(24-41(45)34-88(8,80)81)47-33-71(7)59(77)53-52(47)42(29-66-53)31-72(49)56-48(64)25-43(63)30-67-56/h19-22,24-25,27,29-30,33,35,37-38,44,50,55,66H,10-18,23,26,28,31-32,34H2,1-9H3,(H,65,75)(H,68,76)(H,70,74)/t37?,38?,44-,50+,55-/m1/s1 |
| InChIKey | RTGMFKZUBIYNLA-TXWUOVCNSA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)C4=CC5=C(C=C4CS(=O)(=O)C)C6=CN(C(=O)C7=C6C(=CN7)CN5C8=C(C=C(C=N8)F)F)C)OC(=O)OC(C)C(C)SS(=O)(=O)C |
| Reference | [1]. Dragovich PS, et, al. Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J Med Chem. 2021 Mar 11;64(5):2576-2607. |
