Name: (S,R,S)-AHPC-PEG2-C4-Cl
Rating: 5 (10 reviews)

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HIT ID:HIT212080409
Cas No:1835705-57-1
常用名:(S,R,S)-AHPC-PEG2-C4-Cl
别名:VHL Ligand-Linker Conjugates 7, VH032-PEG2-C4-Cl, E3 ligase Ligand-Linker Conjugates 10
别名:VHL Ligand-Linker Conjugates 7, VH032-PEG2-C4-Cl, E3 ligase Ligand-Linker Conjugates 10
IUPAC:(2S,4R)-1-[(2S)-2-(2-{2-[(6-chlorohexyl)oxy]ethoxy}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-{2-[(6-chlorohexyl)oxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:VVGFRQKHZOZAAG-UWPQIUOOSA-N

分子式:C32H47ClN4O6S
分子量:651.26
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.579234
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCCCCCCl)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCCCCCCl)C(C)(C)C)cc1

(S,R,S)-AHPC-PEG2-C4-Cl is a small molecule HaloPROTAC that incorporates the (S,R,S)-AHPC based VHL ligand and 2-unit PEG linker. (S,R,S)-AHPC-PEG2-C4-Cl is capable of inducing the degradation of GFP-HaloTag7 in cell-based assays[1].

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