Name: (S,R,S)-AHPC-(C3-PEG)2-C6-Cl
Rating: 5 (10 reviews)

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HIT ID:HIT212080445
Cas No:1835705-61-7
常用名:(S,R,S)-AHPC-(C3-PEG)2-C6-Cl
常用名:(S,R,S)-AHPC-(C3-PEG)2-C6-Cl
别名:VHL Ligand-Linker Conjugates 11, E3 ligase Ligand-Linker Conjugates 11
别名:VHL Ligand-Linker Conjugates 11, E3 ligase Ligand-Linker Conjugates 11
IUPAC:(2S,4R)-1-[(2S)-2-[6-({5-[(6-chlorohexyl)oxy]pentyl}oxy)hexanamido]-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-[6-({5-[(6-chlorohexyl)oxy]pentyl}oxy)hexanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:DVLICOWBWULAJJ-RWTOGVPBSA-N

分子式:C39H61ClN4O6S
分子量:749.45
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:5.0159364
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1

(S,R,S)-AHPC-(C3-PEG)2-C6-Cl is a small molecule HaloPROTAC incorporating the (S,R,S)-AHPC-based VHL ligand and a 2-unit PEG linker, capable of inducing degradation of GFP-HaloTag7 in cell-based assays [1].

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