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

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HIT ID:HIT212668099
Cas No:
常用名:N-(m-PEG4)-N'-(PEG3-Mal)-Cy5
IUPAC:2-[(1E,3E)-5-[(2E)-1-{2-[2-(2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]ethoxy}ethoxy)ethoxy]ethyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2E)-1-{2-[2-(2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]ethoxy}ethoxy)ethoxy]ethyl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
InChI key:KQINBUJCBKWMHU-UHFFFAOYSA-N

分子式:C49H67ClN4O10
分子量:907.54
氢键供体数 (HBD):1
氢键受体数 (HBA):11
LogP:1.77631
SMILES:[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13,41|
SMILES:[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13,41|

The compound N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 is a PEG-based PROTAC linker utilized for the synthesis of PROTACs[1].

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