Name: PC DBCO-PEG3-biotin
Rating: 5 (10 reviews)

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HIT ID:HIT212668175
Cas No:
常用名:PC DBCO-PEG3-biotin
IUPAC:1-(4-{3-[(2-{2-[2-(2-{5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]propoxy}-5-methoxy-2-nitrophenyl)ethyl 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)carbamate
IUPAC:1-(4-{3-[(2-{2-[2-(2-{5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]propoxy}-5-methoxy-2-nitrophenyl)ethyl 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)carbamate
InChI key:QHTIWGZNJOYQBJ-NVUHGHFWSA-N

分子式:C50H63N7O13S
分子量:1002.15
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:3.3081257
SMILES:[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)CCCOc3cc(c(cc3OC)C(C)OC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[N+]([O-])=O)[C@]1([H])NC(=O)N2
SMILES:[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)CCCOc3cc(c(cc3OC)C(C)OC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)[N+]([O-])=O)[C@]1([H])NC(=O)N2

PC DBCO-PEG3-biotin is a trimeric polyethylene glycol (PEG) linker, specifically designed for antibody-drug conjugate (ADC) synthesis, with a cleavable moiety consisting of a dibenzocyclooctyne (DBCO) group and a biotin molecule. This linker provides a platform for the efficient attachment of drugs to antibodies, facilitating the targeted delivery and controlled release of therapeutic agents in ADCs[1].

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