For research use only. Not for therapeutic Use.
PROTAC BRD4 Degrader-11 (compound 9a) is a PROTAC connected by ligands for von Hippel-Lindau and BRD4. PROTAC BRD4 Degrader-11 can be conjugated with STEAP1 and CLL1 antibodies to degrade the BRD4 protein in PC3 prostate cancer cells, with a DC50 of 0.23 nM and 0.38 nM, respectively[1].
| Catalog Number | I044591 |
| 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] [(2R)-2-methylsulfonylsulfanylpropyl] carbonate |
| Molecular Formula | C61H75F2N9O12S4 |
| Purity | ≥95% |
| InChI | InChI=1S/C61H75F2N9O12S4/c1-36(86-88(8,81)82)33-83-60(78)84-43-25-49(57(75)67-27-38-18-20-39(21-19-38)53-37(2)68-35-85-53)72(31-43)59(77)54(61(3,4)5)69-50(73)17-15-13-11-9-10-12-14-16-22-64-56(74)44-26-48-45(23-40(44)34-87(7,79)80)46-32-70(6)58(76)52-51(46)41(28-65-52)30-71(48)55-47(63)24-42(62)29-66-55/h18-21,23-24,26,28-29,32,35-36,43,49,54,65H,9-17,22,25,27,30-31,33-34H2,1-8H3,(H,64,74)(H,67,75)(H,69,73)/t36-,43-,49+,54-/m1/s1 |
| InChIKey | XFVLGTSZPLRRLI-HXMREKMRSA-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)OCC(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. |
