(S,R,S)-AHPC-C2-PEG4-N3 | VH032-C2-PEG4-N3 | AnyMole

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HIT212078232

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HIT212078232

HIT ID:HIT212078232
Cas No:
常用名:(S,R,S)-AHPC-C2-PEG4-N3
别名:VH032-C2-PEG4-N3
IUPAC:(2S,4R)-1-[(2S)-2-(1-azido-3,6,9,12-tetraoxapentadecan-15-amido)-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-(1-azido-3,6,9,12-tetraoxapentadecan-15-amido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:VACYAUOFOYGDSX-HRHHFINDSA-N

分子式:C33H49N7O8S
分子量:703.86
氢键供体数 (HBD):3
氢键受体数 (HBA):11
LogP:0.7215884
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(C)(C)C)cc1

(S,R,S)-AHPC-C2-PEG4-N3 (VH032-C2-PEG4-N3) is a synthesized E3 ligase ligand-linker conjugate combining the (S,R,S)-AHPC-based VHL ligand with a 4-unit polyethylene glycol (PEG) linker, employed in PROteolysis TAgeting Chimera (PROTAC) technology. This compound facilitates the creation of vRucaparib-TP4, a potent PARP1 degrader demonstrating a half-maximal degrading concentration (DC50) of 82 nM[1].

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