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Chemical structure of DBCO-NHCO-PEG4-NHS ester

GC66614

DBCO-NHCO-PEG4-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate

DBCO-NHCO-PEG4-NHS ester is a PEG/Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs· DBCO-NHCO-PEG4-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2100306-58-7MW649.69FormulaC34H39N3O10
CAS number
2100306-58-7
Molecular weight
649.69
Formula
C34H39N3O10
InChIKey
ZVWIDTHUTOSOEZ-UHFFFAOYSA-N
Catalogue number
GC66614
Brand
GLPBIO
Computed properties PubChem CID 129009579 · XLogP 0.4 · TPSA 150 Ų · H-bond donors 1
XLogP
0.4
TPSA
150 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
20
Heavy atoms
47

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Computed descriptors from PubChem (CID 129009579), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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