Name: DBCO-NHCO-PEG13-acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212667569
Cas No:
常用名:DBCO-NHCO-PEG13-acid
IUPAC:1-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxadotetracontan-42-oic acid
IUPAC:1-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxadotetracontan-42-oic acid
InChI key:XFJHXMXTEHCPAB-UHFFFAOYSA-N

分子式:C48H72N2O17
分子量:949.101
氢键供体数 (HBD):2
氢键受体数 (HBA):17
LogP:1.2932296
SMILES:OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES:OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12

DBCO-NHCO-PEG13-acid 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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