For research use only. Not for therapeutic Use.
PROTAC BRD4 Degrader-9 (compound 8a) is a PROTAC connected by ligands for von Hippel-Lindau and BRD4. PROTAC BRD4 Degrader-9 can be conjugated with STEAP1 and CLL1 antibodies to degrade the BRD4 protein in PC3 prostate cancer cells, with a DC50 of 0.86 nM and 7.6 nM, respectively[1].
| Catalog Number | I044593 |
| CAS Number | 2417370-42-2 |
| Synonyms | [(3R,5S)-1-[(2S)-2-[[2-[2-[2-[2-[[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]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] (2-methyl-2-methylsulfonylsulfanylpropyl) carbonate |
| Molecular Formula | C59H71F2N9O15S4 |
| Purity | ≥95% |
| InChI | InChI=1S/C59H71F2N9O15S4/c1-34-50(86-33-66-34)36-12-10-35(11-13-36)24-65-54(73)46-22-40(85-57(76)84-32-59(5,6)87-89(9,79)80)28-70(46)56(75)51(58(2,3)4)67-47(71)30-83-19-18-82-17-16-81-15-14-62-53(72)41-23-45-42(20-37(41)31-88(8,77)78)43-29-68(7)55(74)49-48(43)38(25-63-49)27-69(45)52-44(61)21-39(60)26-64-52/h10-13,20-21,23,25-26,29,33,40,46,51,63H,14-19,22,24,27-28,30-32H2,1-9H3,(H,62,72)(H,65,73)(H,67,71)/t40-,46+,51-/m1/s1 |
| InChIKey | YJTABYQWTJXVHI-DEYDXPIJSA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCNC(=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)(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. |
