PROTAC BRD2/BRD4 degrader-1 | AnyMole

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HIT212668244

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HIT212668244

HIT ID:HIT212668244
Cas No:
常用名:PROTAC BRD2/BRD4 degrader-1
IUPAC:N-(4-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}butyl)-3-[9-(2-methoxybenzenesulfonamido)-2-methyl-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-6-yl]propanamide
IUPAC:N-(4-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}butyl)-3-[9-(2-methoxybenzenesulfonamido)-2-methyl-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-6-yl]propanamide
InChI key:DCPKSVYPNGBDSB-UHFFFAOYSA-N

分子式:C39H38N6O9S
分子量:766.83
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:2.318755
SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(CCC(=O)NCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)cc1c23
SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(CCC(=O)NCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)cc1c23

PROTAC BRD2/BRD4 degrader-1 (compound 15) serves as a potent, selective degrader of BET proteins BRD4 and BRD2, achieving rapid, reversible, and unexpectedly selective elimination of BRD4 and BRD2 compared to BRD3. Its efficacy in suppressing solid tumors manifest with minimal cytotoxic effects. This compound comprises a BET inhibitor, a connecting linker, and thalidomide as the ligand for cereblon (CRBN)/cullin 4A[1].

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