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

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HIT ID:HIT212667627
Cas No:
常用名:Diazo Biotin-PEG3-DBCO
IUPAC:5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2-{2-[2-({4-[(1E)-2-{5-[2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)ethyl]-2-hydroxyphenyl}diazen-1-yl]phenyl}formamido)ethoxy]ethoxy}ethoxy)ethyl]pentanamide
IUPAC:5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(2-{2-[2-({4-[(1E)-2-{5-[2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)ethyl]-2-hydroxyphenyl}diazen-1-yl]phenyl}formamido)ethoxy]ethoxy}ethoxy)ethyl]pentanamide
InChI key:FPHXPUQEWGXHLT-AIUAYPIBSA-N

分子式:C52H60N8O9S
分子量:973.16
氢键供体数 (HBD):6
氢键受体数 (HBA):11
LogP:4.8023996
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)c3ccc(cc3)\N=N\c3cc(CCNC(=O)CCC(=O)N4Cc5ccccc5C#Cc5ccccc45)ccc3O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)c3ccc(cc3)\N=N\c3cc(CCNC(=O)CCC(=O)N4Cc5ccccc5C#Cc5ccccc45)ccc3O)[C@@]1([H])NC(=O)N2

Diazo Biotin-PEG3-DBCO is a cleavable three-unit polyethylene glycol (PEG) linker employed in the synthesis of antibody-drug conjugates (ADCs)[1].

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