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Chemical structure of N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3

GC67225

N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3

Also known as (2E)-2-[(E)-3-[5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium-2-yl]prop-2-enylidene]-1,3,3-trimethyl-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]indole chloride

N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-62-9MW829.46FormulaC45H65ClN2O10
CAS number
2107273-62-9
Molecular weight
829.46
Formula
C45H65ClN2O10
InChIKey
QGHYDHVFAUHMTA-UHFFFAOYSA-M
Catalogue number
GC67225
Brand
GLPBIO
Computed properties PubChem CID 126480521 · TPSA 98.6 Ų · H-bond donors 0 · H-bond acceptors 12
TPSA
98.6 Ų
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
29
Heavy atoms
58

SMILES CC1(C2=C(C=CC(=C2)OCCOCCOCCOCCOC)[N+](=C1/C=C/C=C/3\C(C4=C(N3C)C=CC(=C4)OCCOCCOCCOCCOCC#C)(C)C)C)C.[Cl-]

Computed descriptors from PubChem (CID 126480521), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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