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THP-PEG4-Pyrrolidine(N-Me)-CH2OH - CAS 2378261-81-3

Inquiry

THP-PEG4-Pyrrolidine(N-Me)-CH2OH is a polyethylene glycol (PEG)-based PROTAC linker. THP-PEG4-Pyrrolidine(N-Me)-CH2OH can be used in the synthesis of a series of PROTACs.

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Molecular Formula

C₁₉H₃₇NO₇

Molecular Weight

391.50

THP-PEG4-Pyrrolidine(N-Me)-CH2OH

- Specification
  - Storage
    
    -20°C, stored under nitrogen; In solvent, -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere.
    
    IUPAC Name
    
    [(2S,4R)-1-methyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidin-2-yl]methanol
- Properties
  - InChI Key
    
    WSIXZTYJDDDXDX-PAMZHZACSA-N
    
    InChI
    
    InChI=1S/C19H37NO7/c1-20-15-18(14-17(20)16-21)25-12-10-23-8-6-22-7-9-24-11-13-27-19-4-2-3-5-26-19/h17-19,21H,2-16H2,1H3/t17-,18+,19?/m0/s1
    
    Canonical SMILES
    
    CN1CC(CC1CO)OCCOCCOCCOCCOC2CCCCO2
- Reference Reading
  - 1. Mono-, Di- and Tetra-iron Complexes with Selenium or Sulphur Functionalized Vinyliminium Ligands: Synthesis, Structural Characterization and Antiproliferative Activity
    
    Gabriele Agonigi, Lucinda K Batchelor, Eleonora Ferretti, Silvia Schoch, Marco Bortoluzzi, Simona Braccini, Federica Chiellini, Lorenzo Biancalana, Stefano Zacchini, Guido Pampaloni, Biprajit Sarkar, Paul J Dyson, Fabio Marchetti Molecules. 2020 Apr 3;25(7):1656. doi: 10.3390/molecules25071656.
    
    A series of diiron/tetrairon compounds containing a S- or a Se-function (2a-d, 4a-d, 5a-b, 6), and the monoiron [FeCp(CO){SeC1(NMe2)C2HC3(Me)}] (3) were prepared from the diiron μ-vinyliminium precursors [Fe2Cp2(CO)( μ-CO){ μ-η1: η3-C3(R')C2HC1N(Me)(R)}]CF3SO3 (R = R' = Me, 1a; R = 2,6-C6H3Me2 = Xyl, R' = Ph, 1b; R = Xyl, R' = CH2OH, 1c), via treatment with S8 or gray selenium. The new compounds were characterized by elemental analysis, IR and multinuclear NMR spectroscopy, and structural aspects were further elucidated by DFT calculations. The unprecedented metallacyclic structure of 3 was ascertained by single crystal X-ray diffraction. The air-stable compounds (3, 4a-d, 5a-b, 6) display fair to good stability in aqueous media, and thus were assessed for their cytotoxic activity towards A2780, A2780cisR, and HEK-293 cell lines. Cyclic voltammetry, ROS production and NADH oxidation studies were carried out on selected compounds to give insights into their mode of action.

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It is commonly abbreviated as: C₁V₁ = C₂V₂

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