Name: (S,R,S)-AHPC-PEG5-COOH
Rating: 5 (10 reviews)

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HIT ID:HIT212668477
Cas No:2172820-14-1
常用名:(S,R,S)-AHPC-PEG5-COOH
别名:VHL Ligand-Linker Conjugates 16, VH032-PEG5-COOH, E3 Ligase Ligand-Linker Conjugates 58
别名:VHL Ligand-Linker Conjugates 16, VH032-PEG5-COOH, E3 Ligase Ligand-Linker Conjugates 58
IUPAC:1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-3,6,9,12,15-pentaoxaoctadecan-18-oic acid
IUPAC:1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-3,6,9,12,15-pentaoxaoctadecan-18-oic acid
InChI key:YDOJYEPMGKGKQV-ZLWRCJDJSA-N

分子式:C36H54N4O11S
分子量:750.91
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:0.1262222
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(O)=O)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(O)=O)C(C)(C)C)cc1

(S,R,S)-AHPC-PEG5-COOH (VH032-PEG5-COOH) is a synthetic E3 ligase ligand-linker conjugate developed for use in PROTAC technology. It consists of the (S,R,S)-AHPC based VHL ligand and a 5-unit PEG linker [1].

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