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

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HIT ID:HIT212668822
Cas No:2100306-58-7
常用名:DBCO-NHCO-PEG4-NHS ester
IUPAC:2,5-dioxopyrrolidin-1-yl 1-[(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-tetraoxapentadecan-15-oate
IUPAC:2,5-dioxopyrrolidin-1-yl 1-[(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-tetraoxapentadecan-15-oate
InChI key:ZVWIDTHUTOSOEZ-UHFFFAOYSA-N

分子式:C34H39N3O10
分子量:649.697
氢键供体数 (HBD):1
氢键受体数 (HBA):9
LogP:1.0855945
SMILES:O=C(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES:O=C(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12

DBCO-NHCO-PEG4-NHS ester ester is a MMP-2- and cathepsin B- (CatB) cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

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