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Chemical structure of N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7

GC67227

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7

Also known as (2Z)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2Z)-2-[3-[(E)-2-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole chloride

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-84-5MW893.94FormulaC46H62Cl2N8O6
CAS number
2107273-84-5
Molecular weight
893.94
Formula
C46H62Cl2N8O6
InChIKey
AGTYTVSFKGQCDO-UHFFFAOYSA-M
Catalogue number
GC67227
Brand
GLPBIO
Computed properties PubChem CID 146026277 · TPSA 90.4 Ų · H-bond donors 0 · H-bond acceptors 12
TPSA
90.4 Ų
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
27
Heavy atoms
62

SMILES CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C\C=C/4\C(C5=CC=CC=C5N4CCOCCOCCOCCN=[N+]=[N-])(C)C)/CCC3)Cl)CCOCCOCCOCCN=[N+]=[N-])C.[Cl-]

Computed descriptors from PubChem (CID 146026277), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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