Name: Diketone-PEG12-Biotin
Rating: 5 (10 reviews)

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HIT ID:HIT212667630
Cas No:
常用名:Diketone-PEG12-Biotin
IUPAC:1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[4-(3,5-dioxohexyl)phenyl]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amide
IUPAC:1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[4-(3,5-dioxohexyl)phenyl]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amide
InChI key:JPYSEWVSVJTJHM-UMQMWPJCSA-N

分子式:C49H82N4O17S
分子量:1031.27
氢键供体数 (HBD):4
氢键受体数 (HBA):17
LogP:0.95554537
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc3ccc(CCC(=O)CC(C)=O)cc3)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc3ccc(CCC(=O)CC(C)=O)cc3)[C@@]1([H])NC(=O)N2

Diketone-PEG12-Biotin is a PEG-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.

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