Name: ARCC-4
Rating: 5 (10 reviews)

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HIT ID:HIT212669356
Cas No:1973403-00-7
常用名:ARCC-4
IUPAC:(2S,4R)-1-[(2S)-2-(2-{4-[(4'-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-[1,1'-biphenyl]-4-yl)oxy]butoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(2-{4-[(4'-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-[1,1'-biphenyl]-4-yl)oxy]butoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:DUPAJELXESPTNF-PPZGWQTASA-N

分子式:C53H56F3N7O7S2
分子量:1024.19
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:8.944
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCOc2ccc(cc2)-c2ccc(cc2)N2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCOc2ccc(cc2)-c2ccc(cc2)N2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)C(C)(C)C)cc1

ARCC-4 is an enzalutamide-based von Hippel-Lindau (VHL)-recruiting AR PROTAC and outperforms enzalutamide and it is a low-nanomolar androgen receptor (AR) degrader based on PROTAC, with a DC50 of 5 nM. ARCC-4 effectively degrades clinically relevant AR mutants associated with antiandrogen therapy[1].

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