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HIT212667656
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HIT212667656
  • HIT ID:HIT212667656
  • Cas No:
  • 常用名:DSPE-PEG46-NH2
  • IUPAC:[2-(140-amino-2-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132,135,138-hexatetracontaoxa-1-aza-140n-1-yl)ethoxy][(2R)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid
    IUPAC:[2-(140-amino-2-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132,135,138-hexatetracontaoxa-1-aza-140n-1-yl)ethoxy][(2R)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid
  • InChI key:LYIPOQIVRPDNDL-ZCQATMJUSA-N
  • 分子式:C134H267N2O55P
  • 分子量:2817.543
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):51
  • LogP:9.756336
  • SMILES:[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)OC(=O)CCCCCCCCCCCCCCCCC
    SMILES:[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)OC(=O)CCCCCCCCCCCCCCCCC
  • DSPE-PEG46-NH2 is a PEG-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
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    TargetMolSC
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