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Chemical structure of N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy5

GC67235

N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy5

Also known as 2-[(1E,3E,5Z)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium chloride

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

ChemicalCAS2107273-56-1MW886.51FormulaC46H68ClN5O10
CAS number
2107273-56-1
Molecular weight
886.51
Formula
C46H68ClN5O10
InChIKey
CKLDNAAAZOJWFY-UHFFFAOYSA-M
Catalogue number
GC67235
Brand
GLPBIO
Computed properties PubChem CID 146026275 · TPSA 113 Ų · H-bond donors 0 · H-bond acceptors 14
TPSA
113 Ų
H-bond donors
0
H-bond acceptors
14
Rotatable bonds
32
Heavy atoms
62

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

Computed descriptors from PubChem (CID 146026275), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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