Name: N-(azide-PEG3)-N'-(m-PEG4)-Benzothiazole Cy5
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HIT ID:HIT212668042
Cas No:2107273-88-9
常用名:N-(azide-PEG3)-N'-(m-PEG4)-Benzothiazole Cy5
常用名:N-(azide-PEG3)-N'-(m-PEG4)-Benzothiazole Cy5
IUPAC:2-[(1E,3E)-5-[(2E)-1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-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-[(2E)-1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3-(2,5,8,11-tetraoxatridecan-13-yl)-1,3-benzothiazol-3-ium chloride
InChI key:MHHLVWQRJSAVFX-UHFFFAOYSA-M

分子式:C39H54ClN5O7S
分子量:772.4
氢键供体数 (HBD):0
氢键受体数 (HBA):10
LogP:1.5202425
SMILES:[Cl-].COCCOCCOCCOCC[n+]1c(\C=C\C=C\C=C2\N(CCOCCOCCOCCN=[N+]=[N-])c3ccccc3C2(C)C)sc2ccccc12
SMILES:[Cl-].COCCOCCOCCOCC[n+]1c(\C=C\C=C\C=C2\N(CCOCCOCCOCCN=[N+]=[N-])c3ccccc3C2(C)C)sc2ccccc12

N-(azide-PEG3)-N'-(m-PEG4)-Benzothiazole Cy5 is a polyethylene glycol (PEG)-based PROteolysis TArgeting Chimeras (PROTACs) linker, employed for the synthesis of PROTACs[1].

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