For research use only. Not for therapeutic Use.
PROTAC BRD4 Degrader-10 (compound 8b) is a PROTAC connected by ligands for von Hippel-Lindau and BRD4. PROTAC BRD4 Degrader-10 can be conjugated with STEAP1 and CLL1 antibodies to degrade the BRD4 protein in PC3 prostate cancer cells, with a DC50 of 1.3 nM and 18 nM, respectively[1].
| Catalog Number | I044592 |
| CAS Number | 2417370-49-9 |
| 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] 3-methylsulfonylsulfanylbutan-2-yl carbonate |
| Molecular Formula | C59H71F2N9O15S4 |
| Purity | ≥95% |
| InChI | InChI=1S/C59H71F2N9O15S4/c1-33-51(86-32-66-33)37-12-10-36(11-13-37)24-65-55(73)47-22-41(85-58(76)84-34(2)35(3)87-89(9,79)80)28-70(47)57(75)52(59(4,5)6)67-48(71)30-83-19-18-82-17-16-81-15-14-62-54(72)42-23-46-43(20-38(42)31-88(8,77)78)44-29-68(7)56(74)50-49(44)39(25-63-50)27-69(46)53-45(61)21-40(60)26-64-53/h10-13,20-21,23,25-26,29,32,34-35,41,47,52,63H,14-19,22,24,27-28,30-31H2,1-9H3,(H,62,72)(H,65,73)(H,67,71)/t34?,35?,41-,47+,52-/m1/s1 |
| InChIKey | FUFQNGIGEJGHCG-YDIRMPGESA-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)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. |
