ChemicalBook--->CAS DataBase List--->1613439-69-2

1613439-69-2

1613439-69-2 Structure

1613439-69-2 Structure
IdentificationBack Directory
[Name]

TCO-PEG4-NHS ester
[CAS]

1613439-69-2
[Synonyms]

TCO-PEG4-NHS ester
(4E)-TCO-PEG4-NHS ester
(Z)-2,5-dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate
5,8,11,14-Tetraoxa-2-azaheptadecanedioic acid, 1-(4-cycloocten-1-yl) 17-(2,5-dioxo-1-pyrrolidinyl) ester
[Molecular Formula]

C24H38N2O10
[MDL Number]

MFCD28118912
[MOL File]

1613439-69-2.mol
[Molecular Weight]

514.57
Chemical PropertiesBack Directory
[density ]

1.23±0.1 g/cm3(Predicted)
[solubility ]

Soluble in DMSO, DCM, DMF
[form ]

Oil
[pka]

11.95±0.46(Predicted)
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1-
[InChIKey]

ZKPMRASGLDBKPF-UPHRSURJSA-N
[SMILES]

C(OC1CCCC=CCC1)(=O)NCCOCCOCCOCCOCCC(ON1C(=O)CCC1=O)=O |c:6|
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
Hazard InformationBack Directory
[Description]

TCO-PEG4-NHS Ester is a click chemistry crosslinker. This reagent can be used to label antibodies, proteins and other primary amine containing molecule. The hydrophilic PEG spacer increases water-solubility and decreases steric hindrance during ligation. TCO enable fast click chemistry under mild condition
[Biological Activity]

TCO-PEG4-NHS ester is a PROTAC linker and belongs to the PEG class,it can be used to synthesize a series 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

Spectrum DetailBack Directory
[Spectrum Detail]

TCO-PEG4-NHS ester(1613439-69-2)1HNMR
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