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Chemical structure of DBCO-PEG12-NHS ester

GC66273

DBCO-PEG12-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

DBCO-PEG12-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2093934-94-0MW1002.11FormulaC50H71N3O18
CAS number
2093934-94-0
Molecular weight
1002.11
Formula
C50H71N3O18
Solubility
DMSO : 100 mg/mL (99·79 mM; ultrasonic and warming and heat to 60°C)
InChIKey
AFUFPIOHTWMNMM-UHFFFAOYSA-N
Catalogue number
GC66273
Brand
GLPBIO
Computed properties PubChem CID 134827745 · XLogP -0.8 · TPSA 224 Ų · H-bond donors 1
XLogP
-0.8
TPSA
224 Ų
H-bond donors
1
H-bond acceptors
18
Rotatable bonds
44
Heavy atoms
71

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Computed descriptors from PubChem (CID 134827745), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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