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1255942-08-5

  • 1255942-08-5 Structure

    1255942-08-5 Structure
    IdentificationBack Directory
    [Name]

    DBCO-PEG4-amine
    [CAS]

    1255942-08-5
    [Synonyms]

    DBCO-PEG4-NH2
    DBCO-PEG4-amine
    DBCO-NHCOPEG4-amine
    DBCO-NH-PEG4-CH2CH2NH2
    DBCO-NHCO-PEG4-amine TFA salt
    Azadibenzocyclooctyne-PEG4-amine
    DBCO-PEG4 amine (ADIBO-PEG4-amine)
    4,7,10,13-Tetraoxapentadecanamide, 15-amino-N-[3-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]-
    3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]propanamide
    [Molecular Formula]

    C29H37N3O6
    [MDL Number]

    MFCD22380748
    [MOL File]

    1255942-08-5.mol
    [Molecular Weight]

    523.62
    Chemical PropertiesBack Directory
    [Boiling point ]

    784.1±60.0 °C(Predicted)
    [density ]

    1.23±0.1 g/cm3(Predicted)
    [storage temp. ]

    -20°C Freezer, Under inert atmosphere
    [solubility ]

    Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
    [form ]

    Solid
    [pka]

    15.14±0.46(Predicted)
    [color ]

    Yellow to Dark Yellow
    [Water Solubility ]

    Soluble in water.
    [InChIKey]

    MRRSYYMIRSTYMO-UHFFFAOYSA-N
    [SMILES]

    O=C(NCCC(=O)N1C=2C=CC=CC2C#CC=3C=CC=CC3C1)CCOCCOCCOCCOCCN
    Safety DataBack Directory
    [WGK Germany ]

    WGK 3
    [Storage Class]

    11 - Combustible Solids
    Hazard InformationBack Directory
    [Description]

    DBCO-NHCO-PEG4-amine is a carboxyl-reactive building block with extended PEG spacer arm. The hydrophilic PEG spacer arm improves water solubility. In the presence of of activators (e.g. EDC, or HATU), this reagent can be used to derivatize carboxyl groups or activated esters (e.g. The NHS ester) through a stable amide bond. DBCO is commonly used for copper-free Click Chemistry reactions.
    [Biological Activity]

    DBCO-NHCO-PEG4-amine is a PROTAC linker and belongs to the PEG class. It is a cleavable ADC linker that can be used to link MMAE (HY-15162) to antibodies such as DBCO-VCpAB-MMAE and DBCO-TRX-MMAE, with EC50 for SKBR3 cells, respectively 280 nM and 22 nM).
    [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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