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HIT212667703
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HIT212667703
  • HIT ID:HIT212667703
  • Cas No:2435572-49-7
  • 常用名:Thalidomide-O-amido-PEG1-(C1-​PEG)2-C2-NH2
    常用名:Thalidomide-O-amido-PEG1-(C1-​PEG)2-C2-NH2
  • 别名:E3 Ligase Ligand-Linker Conjugates 23 TFA, Cereblon Ligand-Linker Conjugates 12 TFA
    别名:E3 Ligase Ligand-Linker Conjugates 23 TFA, Cereblon Ligand-Linker Conjugates 12 TFA
  • IUPAC:N-(2-{3-[3-(2-aminoethoxy)propoxy]propoxy}ethyl)-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamide; trifluoroacetic acid
    IUPAC:N-(2-{3-[3-(2-aminoethoxy)propoxy]propoxy}ethyl)-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamide; trifluoroacetic acid
  • InChI key:XLQMWZARPGGRIS-UHFFFAOYSA-N
  • 分子式:C27H35F3N4O11
  • 分子量:648.589
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):10
  • LogP:-2.065238
  • SMILES:OC(=O)C(F)(F)F.NCCOCCCOCCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
    SMILES:OC(=O)C(F)(F)F.NCCOCCCOCCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
  • Thalidomide-O-amido-PEG1-(C1-PEG)2-C2-NH2 is a synthesized conjugate compound known as an E3 ligase ligand-linker. It incorporates a cereblon ligand based on Thalidomide and a 3-unit PEG linker. This compound is specifically designed for use in PROTAC technology applications.
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