Name: DBCO-NHCO-PEG12-biotin
Rating: 5 (10 reviews)

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HIT ID:HIT212667568
Cas No:
常用名:DBCO-NHCO-PEG12-biotin
IUPAC:1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-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-(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amide
InChI key:GIBHXHXUJIVMNR-VMYZTKCFSA-N

分子式:C55H83N5O16S
分子量:1102.35
氢键供体数 (HBD):4
氢键受体数 (HBA):16
LogP:1.1898412
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[C@@]1([H])NC(=O)N2

DBCO-NHCO-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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