Name: DBCO-SS-PEG4-Biotin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212667621
Cas No:
常用名:DBCO-SS-PEG4-Biotin
IUPAC:1-{6-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]hexanamido}-N-(2-{[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]disulfanyl}ethyl)-3,6,9,12-tetraoxapentadecan-15-amide
IUPAC:1-{6-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]hexanamido}-N-(2-{[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]disulfanyl}ethyl)-3,6,9,12-tetraoxapentadecan-15-amide
InChI key:ZUNYXNOVQARZNV-LJFGWUDESA-N

分子式:C45H62N6O9S3
分子量:927.2
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:1.8116227
SMILES:O=C(CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)NCCSSCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES:O=C(CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)NCCSSCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12

DBCO-SS-PEG4-Biotin is a cleavable link mid-functional ADC linker composed of a 4-unit PEG moiety. It finds utility in the synthesis of antibody-drug conjugates (ADCs)[1].

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