ChemicalBook--->CAS DataBase List--->2228857-36-9

2228857-36-9

2228857-36-9 Structure

2228857-36-9 Structure
IdentificationBack Directory
[Name]

m-PEG4-DBCO
[CAS]

2228857-36-9
[Synonyms]

m-PEG4-DBCO
m-PEG4-NH-DBCO
mPEG4-DBCO,mPEG4-ADIBO,mPEG4-Dibenzocycolctyne
[Molecular Formula]

C28H34N2O6
[MDL Number]

MFCD31654033
[MOL File]

2228857-36-9.mol
[Molecular Weight]

494.59
Chemical PropertiesBack Directory
[Boiling point ]

746.8±60.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Soluble in DMSO, DCM, DMF
[form ]

Liquid
[pka]

15.14±0.46(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C28H34N2O6/c1-33-16-17-35-20-21-36-19-18-34-15-14-29-27(31)12-13-28(32)30-22-25-8-3-2-6-23(25)10-11-24-7-4-5-9-26(24)30/h2-9H,12-22H2,1H3,(H,29,31)
[InChIKey]

CUEOILOXVJZHLK-UHFFFAOYSA-N
[SMILES]

C(N1CC2=CC=CC=C2C#CC2=CC=CC=C12)(=O)CCC(=O)NCCOCCOCCOCCOC
Hazard InformationBack Directory
[Description]

m-PEG4-DBCO is a click chemistry reagents which can enable so called copper-free Click Chemistry with azide to form a stable triazole.
[Uses]

m-PEG4-NH-DBCO is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. m-PEG4-NH-DBCO is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
[IC 50]

PEGs
[References]

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562 DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

m-PEG4-DBCO(2228857-36-9)1HNMR
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