CAS 2052306-13-3

Formule : C53H74BrN9O9S

InChI : InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1

Code InChI : QMGHHBHPDDAGGO-IIWOMYBWSA-N

SMILES : CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOC4=CC=C(C=C4)NC5=NC=C(C(=N5)NCCCN(C)C(=O)C6CCC6)Br)O

TBK1 PROTAC 3i

CAS : 2052306-13-3

TBK1 PROTAC 3i is a potent PROTAC degrader targeting the serine/threonine kinase TANK-binding kinase-1 (TBK1), composed of a TBK1-targeting ligand, a linker, and a von-Hippel Lindau (VHL) E3 ubiquitin ligase ligand. TBK1 PROTAC 3i exhibits high affinity for TBK1 (K_d = 4.6 nM) and potent degradation activity (DC₅₀ = 15 nM, maximum degradation efficiency of 96%), and can achieve near-complete degradation of TBK1 in mutant K-Ras and wild-type cancer cell lines without significantly affecting cell proliferation.

Formule : C₅₃H₇₄BrN₉O₉S

Masse moléculaire : 1093.19

Ref: TM-T36248