Name: WSPC Biotin-PEG3-DBCO
Rating: 5 (10 reviews)

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HIT ID:HIT212668479
Cas No:
常用名:WSPC Biotin-PEG3-DBCO
IUPAC:1-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-{4-[4-(1-{[(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]oxy}ethyl)-2-methoxy-5-nitrophenoxy]butanamido}ethane-1-sulfonic acid
IUPAC:1-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-{4-[4-(1-{[(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]oxy}ethyl)-2-methoxy-5-nitrophenoxy]butanamido}ethane-1-sulfonic acid
InChI key:VXNHEVDLDQWVJJ-NHJLCCERSA-N

分子式:C53H68N8O17S2
分子量:1153.29
氢键供体数 (HBD):7
氢键受体数 (HBA):16
LogP:1.7394679
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)C(CNC(=O)CCCOc3cc(c(cc3OC)C(C)OC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[N+]([O-])=O)S(O)(=O)=O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)C(CNC(=O)CCCOc3cc(c(cc3OC)C(C)OC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[N+]([O-])=O)S(O)(=O)=O)[C@@]1([H])NC(=O)N2

WSPC Biotin-PEG3-DBCO 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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