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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