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Chemical structure of PC DBCO-PEG4-NHS ester

GF04904

PC DBCO-PEG4-NHS ester

Also known as 1-[4-[4-[2-[2-[2-[2-[3-[[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-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

PC DBCO-PEG4-NHS ester is a PEG based PROTAC linker that can be used as a linker in click chemistry for the synthesis of PROTAC molecules

ChemicalCAS2055025-02-8MW945.96FormulaC47H55N5O16
CAS number
2055025-02-8
Molecular weight
945.96
Formula
C47H55N5O16
Solubility
DMSO ： 250 mg/mL (264·28 mM; Need ultrasonic)
InChIKey
OWJGBQJIEISILN-UHFFFAOYSA-N
Catalogue number
GF04904
Brand
GLPBIO
Computed properties PubChem CID 123132100 · XLogP 2.1 · TPSA 253 Ų · H-bond donors 2
XLogP
2.1
TPSA
253 Ų
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
29
Heavy atoms
68

SMILES CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)OC)OC(=O)ON5C(=O)CCC5=O

Computed descriptors from PubChem (CID 123132100), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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