Name: PROTAC BRD4 Degrader-10
Rating: 5 (10 reviews)

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HIT ID:HIT214323482
Cas No:2417370-49-9
常用名:PROTAC BRD4 Degrader-10
别名:PROTAC BRD4 Degrader-10
IUPAC:(2S,4R)-1-[(2S)-2-(2-{2-[2-(2-{[8-(3,5-difluoropyridin-2-yl)-4-(methanesulfonylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-5-yl]formamido}ethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-[({[3-(methanesulfonylsulfanyl)butan-2-yl]oxy}carbonyl)oxy]-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(2-{2-[2-(2-{[8-(3,5-difluoropyridin-2-yl)-4-(methanesulfonylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-5-yl]formamido}ethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-[({[3-(methanesulfonylsulfanyl)butan-2-yl]oxy}carbonyl)oxy]-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:FUFQNGIGEJGHCG-YDIRMPGESA-N

分子式:C59H71F2N9O15S4
分子量:1312.5
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(OC(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)c1cc2N(Cc3c[nH]c4c3c(cn(C)c4=O)-c2cc1CS(C)(=O)=O)c1ncc(F)cc1F)C(C)(C)C)C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)SS(C)(=O)=O
SMILES:CC(OC(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)c1cc2N(Cc3c[nH]c4c3c(cn(C)c4=O)-c2cc1CS(C)(=O)=O)c1ncc(F)cc1F)C(C)(C)C)C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)SS(C)(=O)=O

PROTAC BRD4 Degrader-10, also known as compound 8b, is a dual ligand-based PROTAC that combines ligands for von Hippel-Lindau and BRD4. To degrade the BRD4 protein in PC3 prostate cancer cells, PROTAC BRD4 Degrader-10 can be conjugated with STEAP1 and CLL1 antibodies, with respective DC 50 values of 1.3 nM and 18 nM.

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