Name: N-(m-PEG4)-N'-(Acid-PEG3)-benzothiazole Cy5
Rating: 5 (10 reviews)

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HIT ID:HIT212668085
Cas No:2107273-80-1
常用名:N-(m-PEG4)-N'-(Acid-PEG3)-benzothiazole Cy5
常用名:N-(m-PEG4)-N'-(Acid-PEG3)-benzothiazole Cy5
IUPAC:2-[(1E,3E)-5-[(2Z)-3-(2-{2-[2-(2-carboxyethoxy)ethoxy]ethoxy}ethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-3-(2,5,8,11-tetraoxatridecan-13-yl)-1,3-benzothiazol-3-ium chloride
IUPAC:2-[(1E,3E)-5-[(2Z)-3-(2-{2-[2-(2-carboxyethoxy)ethoxy]ethoxy}ethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-3-(2,5,8,11-tetraoxatridecan-13-yl)-1,3-benzothiazol-3-ium chloride
InChI key:PEWXFUQTWHPFTH-UHFFFAOYSA-N

分子式:C37H49ClN2O9S2
分子量:765.37
氢键供体数 (HBD):1
氢键受体数 (HBA):10
LogP:1.1898452
SMILES:[Cl-].COCCOCCOCCOCC[n+]1c(\C=C\C=C\C=C2/Sc3ccccc3N2CCOCCOCCOCCC(O)=O)sc2ccccc12
SMILES:[Cl-].COCCOCCOCCOCC[n+]1c(\C=C\C=C\C=C2/Sc3ccccc3N2CCOCCOCCOCCC(O)=O)sc2ccccc12

N-(m-PEG4)-N'-(Acid-PEG3)-benzothiazole Cy5 is a polyethylene glycol-based linker termed PEG-PROTAC, suitable for the development of PROTACs through chemical synthesis[1].

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