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1613439-69-2

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    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
    [pka]

    11.95±0.46(Predicted)
    [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) ]


    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

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