ChemicalBook--->CAS DataBase List--->1428629-71-3

1428629-71-3

1428629-71-3 Structure

1428629-71-3 Structure
IdentificationBack Directory
[Name]

Propargyl-PEG3-NHS ester
[CAS]

1428629-71-3
[Synonyms]

1428629-71-3
Alkyne-PEG3-NHS
Propargyl-PEG3-NHS ester
Propargyl-PEG2-CH2CH2COONHS
Propanoic acid, 3-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
[Molecular Formula]

C14H19NO7
[MDL Number]

MFCD23726610
[MOL File]

1428629-71-3.mol
[Molecular Weight]

313.3
Chemical PropertiesBack Directory
[Boiling point ]

427.2±55.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[solubility ]

Soluble in DMSO, DCM, DMF
[form ]

Liquid
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C14H19NO7/c1-2-6-19-8-10-21-11-9-20-7-5-14(18)22-15-12(16)3-4-13(15)17/h1H,3-11H2
[InChIKey]

YDRPXORAOIYIGV-UHFFFAOYSA-N
[SMILES]

C(ON1C(=O)CCC1=O)(=O)CCOCCOCCOCC#C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[HS Code ]

2942000090
Hazard InformationBack Directory
[Description]

Propargyl-PEG3-NHS ester is a Click Chemistry reagent with a propargyl group and an NHS ester group. The propargyl group can react with biomolecules containing azide group via copper catalyzed Click Chemistry reaction. The NHS ester is an amine reactive group which can be used for derivatizing peptides, antibodies, amine coated surfaces etc.
[Biological Activity]

Propargyl-PEG3-NHS ester is a PROTAC bridge, belonging to the PEG class and the Alkyl/ether class. It can be used to synthesize a range of PROTAC molecules. It is a cleavable ADC linker for the synthesis of antibody drug conjugates (ADCs).
[in vitro]

PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins.
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker.

[target]

Cleavable

PEGs

Alkyl/ether

Spectrum DetailBack Directory
[Spectrum Detail]

Propargyl-PEG3-NHS ester(1428629-71-3)1HNMR
Propargyl-PEG3-NHS ester(1428629-71-3)13CNMR
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