Name: (S,R,S)-AHPC-PEG3-NH2
Rating: 5 (10 reviews)

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HIT ID:HIT212080451
Cas No:2010159-56-3
常用名:(S,R,S)-AHPC-PEG3-NH2
别名:VHL Ligand-Linker Conjugates 1, VH032-PEG3-NH2, E3 ligase Ligand-Linker Conjugates 5 Free Base
别名:VHL Ligand-Linker Conjugates 1, VH032-PEG3-NH2, E3 ligase Ligand-Linker Conjugates 5 Free Base
IUPAC:(2S,4R)-1-[(2S)-2-(2-{2-[2-(2-aminoethoxy)ethoxy]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-[2-(2-aminoethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:ZQKKNLXIQLXWLQ-ONBPZOJHSA-N

分子式:C30H45N5O7S
分子量:619.78
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:1.317
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN)C(C)(C)C)cc1

(S,R,S)-AHPC-PEG3-NH2 is a synthetic conjugate of an E3 ligase ligand-linker, incorporating the (S,R,S)-AHPC VHL ligand and a 3-unit PEG linker, which are utilized in PROTAC technology.

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