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HIT212667607
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HIT212667607
  • HIT ID:HIT212667607
  • Cas No:
  • 常用名:DBCO-PEG4-SS-TCO
  • IUPAC:(1S,4E)-cyclooct-4-en-1-yl N-[2-({2-[1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12-tetraoxapentadecan-15-amido]ethyl}disulfanyl)ethyl]carbamate
    IUPAC:(1S,4E)-cyclooct-4-en-1-yl N-[2-({2-[1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12-tetraoxapentadecan-15-amido]ethyl}disulfanyl)ethyl]carbamate
  • InChI key:PLNJLVRXRBJPOE-OXOGDYKCSA-N
  • 分子式:C43H58N4O9S2
  • 分子量:839.08
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):8
  • LogP:3.770062
  • SMILES:O=C(CCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)NCCSSCCNC(=O)O[C@H]1CCC\C=C\CC1 |t:57|
    SMILES:O=C(CCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)NCCSSCCNC(=O)O[C@H]1CCC\C=C\CC1 |t:57|
  • DBCO-PEG4-SS-TCO is a cleavable 4-unit polyethylene glycol (PEG) linker essential for the synthesis of antibody-drug conjugates (ADCs)[1]. It plays a crucial role in connecting the drug payload to the antibody, enabling targeted drug delivery.
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    TargetMolSC
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