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Chemical structure of DBCO-NHCO-PEG4-amine

GC67172

DBCO-NHCO-PEG4-amine

Also known as 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]propanamide

DBCO-NHCO-PEG4-amine is a PEG-based PROTAC linker can be used in the synthesis of PROTACs· DBCO-NHCO-PEG4-amine is a cleavable ADC linker used to conjugate MMAE and antibody (e·g·, DBCO-VCpAB-MMAE and DBCO-TRX-MMAE with EC50s of 280 nM and 22 nM in SKBR3 cells, respectively)

ChemicalCAS1255942-08-5MW523.62FormulaC29H37N3O6
CAS number
1255942-08-5
Molecular weight
523.62
Formula
C29H37N3O6
InChIKey
KTIOBJVNCOFWCL-UHFFFAOYSA-N
Catalogue number
GC67172
Brand
GLPBIO
Computed properties PubChem CID 86580489 · XLogP 0.5 · TPSA 112 Ų · H-bond donors 2
XLogP
0.5
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
38

SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCN

Computed descriptors from PubChem (CID 86580489), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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