Name: PC DBCO-PEG4-NHS ester
Rating: 5 (10 reviews)

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HIT ID:HIT214322970
Cas No:2055025-02-8
常用名:PC DBCO-PEG4-NHS ester
别名:PC DBCO-PEG4-NHS ester
IUPAC:1-{4-[3-({14-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamoyl)propoxy]-5-methoxy-2-nitrophenyl}ethyl 2,5-dioxopyrrolidin-1-yl carbonate
IUPAC:1-{4-[3-({14-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamoyl)propoxy]-5-methoxy-2-nitrophenyl}ethyl 2,5-dioxopyrrolidin-1-yl carbonate
InChI key:OWJGBQJIEISILN-UHFFFAOYSA-N

分子式:C47H55N5O16
分子量:945.976
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)N(=O)=O
SMILES:COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)N(=O)=O

PC DBCO-PEG4-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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