Name: DBCO-NHCO-PEG2-Biotin
Rating: 5 (10 reviews)

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HIT ID:HIT212667572
Cas No:
常用名:DBCO-NHCO-PEG2-Biotin
IUPAC:5-[(3aS,4R,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(3-{2-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]ethoxy}propoxy)ethyl]pentanamide
IUPAC:5-[(3aS,4R,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(3-{2-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]ethoxy}propoxy)ethyl]pentanamide
InChI key:KKCXTNYILYAGMI-CQUMZHQQSA-N

分子式:C36H45N5O6S
分子量:675.85
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:1.719556
SMILES:[H][C@]12CS[C@H](CCCCC(=O)NCCOCCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@H](CCCCC(=O)NCCOCCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[C@@]1([H])NC(=O)N2

DBCO-NHCO-PEG2-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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