dFKBP-1 | CAS 1799711-22-0 | AnyMole

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HIT212668243

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HIT212668243

HIT ID:HIT212668243
Cas No:1799711-22-0
常用名:dFKBP-1
IUPAC:(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(3-{[4-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)butyl]carbamoyl}propanamido)phenyl]propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
IUPAC:(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(3-{[4-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)butyl]carbamoyl}propanamido)phenyl]propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
InChI key:RIBCWKRMNKOGRN-GGJINPDOSA-N

分子式:C53H64N6O14
分子量:1009.123
氢键供体数 (HBD):4
氢键受体数 (HBA):13
LogP:4.201046
SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)NCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)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)CCC(=O)NCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c1

dFKBP-1 is a potent and PROTAC-based FKBP12 degrader. dFKBP-1 incorporates the ligand SLF of FKBP12, the Thalidomide based cereblon ligand and a linker[1].

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