ChemicalBook--->CAS DataBase List--->1951438-84-8

1951438-84-8

1951438-84-8 Structure

1951438-84-8 Structure
IdentificationBack Directory
[Name]

Propargyl-PEG6-acid
[CAS]

1951438-84-8
[Synonyms]

CAS_1951438-84-8
Propargyl-PEG6-acid
Propyne-PEG5-CH2CH2COOH
Propargyl-PEG5-CH2CH2COOH
4,7,10,13,16,19-Hexaoxadocos-21-ynoic acid
[Molecular Formula]

C16H28O8
[MDL Number]

MFCD28950778
[MOL File]

1951438-84-8.mol
[Molecular Weight]

348.39
Chemical PropertiesBack Directory
[Boiling point ]

462.8±45.0 °C(Predicted)
[density ]

1.126±0.06 g/cm3(Predicted)
[refractive index ]

n/D 1.469
[storage temp. ]

-20°C
[solubility ]

Soluble in Water
[form ]

liquid
[pka]

4.28±0.10(Predicted)
[color ]

Colorless to light yellow
[InChI]

1S/C16H28O8/c1-2-4-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-20-5-3-16(17)18/h1H,3-15H2,(H,17,18)
[InChIKey]

XRSJYQQOJNYUDV-UHFFFAOYSA-N
[SMILES]

OC(CCOCCOCCOCCOCCOCCOCC#C)=O
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
[WGK Germany ]

WGK 3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

Propargyl-PEG6-acid comprises propargyl and carboxylic acid functional groups. The acid group reacts with primary amines in the presence of activators (e.g. EDC, or HATU).The propargyl group reacts with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage. The molecule has good solubility in aqueous environment.
[Uses]

This heterobifunctional, PEGylated crosslinker features a carboxylic acid at one end and propargyl group at the other for reaction with azide-containing compounds using click chemistry. The hydrophillic PEG linker facilitates solubility in biological applications. Propargyl-PEG6-acid can be used for bioconjugation or as a building block for synthesis of small molecules, conjugates of small molecules and/or biomolecules, or other tool compounds for chemical biology and medicinal chemistry that require ligation. Examples of applications include its synthetic incorporation into antibody-drug conjugates or proteolysis-targeting chimeras (PROTAC? molecules) for targeted protein degradation.
[reaction suitability]

reaction type: click chemistry
reagent type: cross-linking reagent
[IC 50]

Cleavable Linker; PEGs
Spectrum DetailBack Directory
[Spectrum Detail]

Propargyl-PEG6-acid(1951438-84-8)1HNMR
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