KB02-SLF | CAS 2384184-40-9 | AnyMole

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HIT212667822

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HIT212667822

HIT ID:HIT212667822
Cas No:2384184-40-9
常用名:KB02-SLF
IUPAC:(1R)-1-[3-(3-{2-[2-(2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}acetamido)ethoxy]ethoxy}propanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
IUPAC:(1R)-1-[3-(3-{2-[2-(2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}acetamido)ethoxy]ethoxy}propanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
InChI key:OKJBKEQXKMMRPL-WVILEFPPSA-N

分子式:C50H65ClN4O12
分子量:949.54
氢键供体数 (HBD):2
氢键受体数 (HBA):11
LogP:6.479159
SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCOCCOCCNC(=O)COc2ccc3N(CCCc3c2)C(=O)CCl)c1
SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCOCCOCCNC(=O)COc2ccc3N(CCCc3c2)C(=O)CCl)c1

KB02-SLF is a PROTAC-based nuclear FKBP12 degrader, known as a molecular glue. It facilitates the degradation of nuclear FKBP12 by covalently modifying DCAF16, an E3 ligase. Moreover, KB02-SLF enhances the longevity of protein degradation in biological systems. The compound SLF acts as a linker, binding to the ubiquitin E3 ligase ligand KB02, resulting in the formation of KB02-SLF[1].

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