For research use only. Not for therapeutic Use.
PROTAC BRD4 Degrader-5-CO-PEG3-N3(Cat No.:I045871)is a functionalized derivative of a BRD4-targeting PROTAC designed for bioconjugation and advanced drug discovery research. It links a BRD4-binding ligand to an E3 ligase recruiter through a PEG3 spacer terminated with an azide group. The PEG3 segment enhances solubility and flexibility, while the azide handle enables click chemistry for site-specific conjugation or probe development. Retaining the capacity to induce ubiquitination and proteasomal degradation of BRD4, this construct is valuable for studying BET protein biology, targeted degradation strategies, and therapeutic innovation.
CAS Number | 2704602-92-4 |
Synonyms | [(3R,5S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate |
Molecular Formula | C58H75ClN12O12S2 |
Purity | ≥95% |
IUPAC Name | [(3R,5S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate |
InChI | InChI=1S/C58H75ClN12O12S2/c1-35-38(4)85-57-50(35)51(41-13-15-43(59)16-14-41)65-45(54-68-67-39(5)71(54)57)30-47(72)61-17-19-77-21-23-79-25-27-81-32-48(73)66-53(58(6,7)8)56(76)70-31-44(83-49(74)33-82-28-26-80-24-22-78-20-18-63-69-60)29-46(70)55(75)64-36(2)40-9-11-42(12-10-40)52-37(3)62-34-84-52/h9-16,34,36,44-46,53H,17-33H2,1-8H3,(H,61,72)(H,64,75)(H,66,73)/t36-,44+,45-,46-,53+/m0/s1 |
InChIKey | WMOYJXQCSDGERS-WVLZNWKQSA-N |
SMILES | CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)OC(=O)COCCOCCOCCN=[N+]=[N-])C(C)(C)C)C7=CC=C(C=C7)Cl)C |
Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |