Name: PROTAC CDK9 degrader-2
Rating: 5 (10 reviews)

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HIT ID:HIT212667544
Cas No:
常用名:PROTAC CDK9 degrader-2
IUPAC:8-(4-{[(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]octanamide
IUPAC:8-(4-{[(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]octanamide
InChI key:MRRHEHIWXXJQQL-UHFFFAOYSA-N

分子式:C39H36N6O10
分子量:748.749
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:4.6142077
SMILES:Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OCc1cn(CCCCCCCC(=O)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1
SMILES:Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OCc1cn(CCCCCCCC(=O)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1

PROTAC CDK9 degrader-2 (compounds 11c) is a potent and selective CDK9 degrader based on PROTAC, with an IC50 of 17 μM in MCF-7 cell lines. Natural product Wogonin binds ubiquitin E3 ligase cereblon (CRBN) via a linker to form PROTAC[1].

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