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Chemical structure of N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5

GC67233

N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5

Also known as N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide chloride

N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-76-5MW1087.78FormulaC63H79ClN4O10
CAS number
2107273-76-5
Molecular weight
1087.78
Formula
C63H79ClN4O10
InChIKey
RDGUSQKZQVKRJY-UHFFFAOYSA-N
Catalogue number
GC67233
Brand
GLPBIO
Computed properties PubChem CID 119058337 · TPSA 130 Ų · H-bond donors 1 · H-bond acceptors 12
TPSA
130 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
33
Heavy atoms
78

SMILES CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)CCOCCOCCOCCOC)C.[Cl-]

Computed descriptors from PubChem (CID 119058337), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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