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HIT212667577
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HIT212667577
  • HIT ID:HIT212667577
  • Cas No:
  • 常用名:DBCO-NHCO-PEG3-Fmoc
  • IUPAC:(9H-fluoren-9-yl)methyl N-{2-[2-(2-{2-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4,6,8,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]ethoxy}ethoxy)ethoxy]ethyl}carbamate
    IUPAC:(9H-fluoren-9-yl)methyl N-{2-[2-(2-{2-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4,6,8,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]ethoxy}ethoxy)ethoxy]ethyl}carbamate
  • InChI key:VVJDSAVDCMMOAN-UHFFFAOYSA-N
  • 分子式:C42H43N3O7
  • 分子量:701.82
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):6
  • LogP:4.8750334
  • SMILES:O=C(CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
    SMILES:O=C(CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc12)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
  • DBCO-NHCO-PEG3-Fmoc 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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