Name: DBCO-PEG8-NHS ester
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212667615
Cas No:
常用名:DBCO-PEG8-NHS ester
IUPAC:2,5-dioxopyrrolidin-1-yl 1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate
IUPAC:2,5-dioxopyrrolidin-1-yl 1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate
InChI key:OALUNVCTIRHONS-UHFFFAOYSA-N

分子式:C42H55N3O14
分子量:825.909
氢键供体数 (HBD):1
氢键受体数 (HBA):13
LogP:0.8976925
SMILES:O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
SMILES:O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

DBCO-PEG8-NHS ester 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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