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Chemical structure of Sulfo DBCO-PEG4-Maleimide

GC66585

Sulfo DBCO-PEG4-Maleimide

Also known as 1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxopropane-2-sulfonic acid

Sulfo DBCO-PEG4-Maleimide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2055198-07-5MW825.88FormulaC39H47N5O13S
CAS number
2055198-07-5
Molecular weight
825.88
Formula
C39H47N5O13S
InChIKey
QXLOITKOSRDQIZ-UHFFFAOYSA-N
Catalogue number
GC66585
Brand
GLPBIO
Computed properties PubChem CID 123132094 · XLogP -1.8 · TPSA 245 Ų · H-bond donors 4
XLogP
-1.8
TPSA
245 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
25
Heavy atoms
58

SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)S(=O)(=O)O

Computed descriptors from PubChem (CID 123132094), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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