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ChemicalBook--->CAS DataBase List--->1537170-85-6

1537170-85-6

1537170-85-6 Structure

1537170-85-6 Structure
IdentificationBack Directory
[Name]

DBCO-PEG4-Acid
[CAS]

1537170-85-6
[Synonyms]

DBCO-PEG4-Acid
DBCO-PEG4-COOH
ADIBO-PEG4-acid
DBCO-PEG4-C2-acid
Aurumpharma u63872
DBCO-CONH-PEG4-acid
ADIBO-PEG4-acid 90% (HPLC)
Dibenzocyclooctyne-PEG4-acid
DBCO-PEG4-acid,DBCO-PEG4-COOH
4,7,10,13-Tetraoxa-16-azaeicosanoic acid, 20-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-17,20-dioxo-
[Molecular Formula]

C30H36N2O8
[MDL Number]

MFCD22380749
[MOL File]

1537170-85-6.mol
[Molecular Weight]

552.62
Chemical PropertiesBack Directory
[Boiling point ]

839.7±65.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO, DCM, DMF
[form ]

Solid or Viscous Liquid
[pka]

4.28±0.10(Predicted)
[color ]

Yellow to Orange
[InChIKey]

LKSAMQQFMTVPKD-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCOCCOCCOCCOCCNC(=O)CCC(N1CC2=CC=CC=C2C#CC2=CC=CC=C12)=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

DBCO-PEG4-acid is an analog of DBCO-Acid with PEG linker and a DBCO group. The DBCO groups is commonly used for copper-free Click Chemistry reactions due to its strain promoted high energy. The hydrophilic PEG chain allows for increased water solubility. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.
[Uses]

Acid functionalized cyclooctyne derivative. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. This dibenzocyclooctyne will react with azide functionalized compounds or biomolecules without the need for a Cu(I) catalyst to result in a stable triazole linkage. The PEG spacer adds hydrophilicity to the product to decrease aggregation.
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