KB02-JQ1 | CAS 2384184-44-3

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HIT ID:HIT212667821
Cas No:2384184-44-3
常用名:KB02-JQ1
IUPAC:2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}-N-{2-[2-(2-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}ethoxy)ethoxy]ethyl}acetamide
IUPAC:2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}-N-{2-[2-(2-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}ethoxy)ethoxy]ethyl}acetamide
InChI key:XIYYDTXOEVAZGI-PMERELPUSA-N

分子式:C38H43Cl2N7O6S
分子量:796.77
氢键供体数 (HBD):2
氢键受体数 (HBA):9
LogP:4.0409513
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCOCCOCCNC(=O)COc1ccc3N(CCCc3c1)C(=O)CCl)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCOCCOCCNC(=O)COc1ccc3N(CCCc3c1)C(=O)CCl)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|

KB02-JQ1 is a potent and specific proteolysis targeting chimera (PROTAC) that specifically degrades BRD4, acting as a molecular glue. It does not degrade BRD2 or BRD3. The mechanism of action involves covalent modification of the E3 ligase DCAF16, thereby promoting BRD4 degradation. Importantly, KB02-JQ1 demonstrates enhanced stability and durability in facilitating protein degradation within biological systems. The compound forms a complex with the ubiquitin E3 ligase ligand KB02 through a linker, resulting in the formation of KB02-JQ1[1].

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