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Chemical structure of DBCO-NHS ester 2

GC35814

DBCO-NHS ester 2

Also known as (2,5-dioxopyrrolidin-1-yl) 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoate

DBCO-NHS ester is a cleavable linker that is used for making antibody-drug conjugate (ADC)· DBCO-NHS ester is a derivative of Dibenzylcyclooctyne (DBCO) used in copper-free click chemistry

ChemicalCAS1384870-47-6MW430.45FormulaC25H22N2O5
CAS number
1384870-47-6
Molecular weight
430.45
Formula
C25H22N2O5
Solubility
Soluble in DMSO
InChIKey
CATTUKBAYDNTEG-UHFFFAOYSA-N
Catalogue number
GC35814
Brand
GLPBIO
Computed properties PubChem CID 86580459 · XLogP 2.5 · TPSA 84 Ų · H-bond donors 0
XLogP
2.5
TPSA
84 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32

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

Computed descriptors from PubChem (CID 86580459), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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