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N-Benzyl-N-bis(PEG3-acid) - CAS 2093154-03-9

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N-Benzyl-N-bis(PEG3-acid) is a polyethylene glycol (PEG)-based PROTAC linker. N-Benzyl-N-bis(PEG3-acid) can be used in the synthesis of a series of PROTACs.

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Molecular Formula

C₂₅H₄₁NO₁₀

Molecular Weight

515.59

N-Benzyl-N-bis(PEG3-acid)

- Specification
  - Storage
    
    Please store the product under the recommended conditions in the Certificate of Analysis.
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere.
    
    IUPAC Name
    
    3-[2-[2-[2-[benzyl-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
- Properties
  - InChI Key
    
    YQSOIFQMGAZDSN-UHFFFAOYSA-N
    
    InChI
    
    InChI=1S/C25H41NO10/c27-24(28)6-10-31-14-18-35-20-16-33-12-8-26(22-23-4-2-1-3-5-23)9-13-34-17-21-36-19-15-32-11-7-25(29)30/h1-5H,6-22H2,(H,27,28)(H,29,30)
    
    Canonical SMILES
    
    C1=CC=C(C=C1)CN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O
- Reference Reading
  - 1. N,N'-Bis[(E)-2-Benzyl-idenepropylidene]ethane-1,2-diamine
    
    Aliakbar Dehno Khalaji, Seik Weng Ng Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 16;64(Pt 9):o1771.doi: 10.1107/S1600536808025919.
    
    The two independent mol-ecules in the asymmetric unit of the title Schiff base, C(22)H(24)N(2), lie across centers of inversion. The C=N double bonds are in a trans configuration.
    
    2. Crystal structure of bis-{4-[(4-methyl-benz-yl)-oxy]-N'-(4-methyl-benzyl-idene)benzohydrazidato}nickel(II)
    
    Md Hasan Al Banna, Md Belayet Hossain Howlader, Ryuta Miyatake, Md Chanmiya Sheikh, Ennio Zangrando Acta Crystallogr E Crystallogr Commun. 2022 Sep 30;78(Pt 10):1081-1083.doi: 10.1107/S2056989022009392.eCollection 2022 Oct 1.
    
    In the title complex, [Ni(C23H21N2O2)2], the central NiII atom is located on an inversion centre and exhibits a slightly distorted square-planar N2O2 coordination environment. A trans-configuration of the N,O chelating ligands results from the imposed site symmetry of the central NiII atom. In the crystal, individual mol-ecules stack along the a axis through weak π-π stacking inter-actions between the phenyl rings.

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