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

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HIT ID:HIT212668177
Cas No:2055736-28-0
常用名:PC Methyltetrazine-PEG4-NHS carbonate ester
常用名:PC Methyltetrazine-PEG4-NHS carbonate ester
IUPAC:2,5-dioxopyrrolidin-1-yl 1-{5-methoxy-4-[3-({2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)propoxy]-2-nitrophenyl}ethyl carbonate
IUPAC:2,5-dioxopyrrolidin-1-yl 1-{5-methoxy-4-[3-({2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)propoxy]-2-nitrophenyl}ethyl carbonate
InChI key:FYXJZLYXHCHOII-UHFFFAOYSA-N

分子式:C35H43N7O14
分子量:785.764
氢键供体数 (HBD):1
氢键受体数 (HBA):17
LogP:1.401865
SMILES:COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOc1ccc(cc1)-c1nnc(C)nn1)[N+]([O-])=O
SMILES:COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOc1ccc(cc1)-c1nnc(C)nn1)[N+]([O-])=O

PC Methyltetrazine-PEG4-NHS carbonate ester is a polyethylene glycol (PEG) derived linker specifically designed for the synthesis of Proteolysis Targeting Chimeras (PROTACs)[1].

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