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(S,R,S)-AHPC-PEG5-COOH - CAS 2172820-14-1

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(S,R,S)-AHPC-PEG5-COOH is a synthetic E3 ligase ligand-linker conjugate containing a (S,R,S)-AHPC-based von-Hippel-Lindau (VHL) protein ligand and a PEG linker with 5 O(CH2)2 units, used for binding a target protein ligand.

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Molecular Formula

C₃₆H₅₄N₄O₁₁S

Molecular Weight

750.90

(S,R,S)-AHPC-PEG5-COOH

- Specification
  - Solubility
    
    In DMSO: ≥ 100 mg/mL (133.17 mM)
    * "≥" means soluble, but saturation unknown.
    
    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
    
    3-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
    
    Synonyms
    
    Cereblon Ligand-Linker Conjugates 13; E3 ligase Ligand-Linker Conjugates 50
- Properties
  - InChI Key
    
    YDOJYEPMGKGKQV-ZLWRCJDJSA-N
    
    InChI
    
    1S/C36H54N4O11S/c1-25-32(52-24-38-25)27-7-5-26(6-8-27)22-37-34(45)29-21-28(41)23-40(29)35(46)33(36(2,3)4)39-30(42)9-11-47-13-15-49-17-19-51-20-18-50-16-14-48-12-10-31(43)44/h5-8,24,28-29,33,41H,9-23H2,1-4H3,(H,37,45)(H,39,42)(H,43,44)/t28-,29+,33-/m1/s1
    
    Canonical SMILES
    
    CC1=C(C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(CCOCCOCCOCCOCCOCCC(O)=O)=O)=O)O)=O)SC=N1
    
    Pub Chem ID
    
    134184001

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