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HIT212668112
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HIT212668112
  • HIT ID:HIT212668112
  • Cas No:2107273-64-1
  • 常用名:N-Methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3
    常用名:N-Methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3
  • IUPAC:2-[(1E)-3-[(2E)-5-[(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)oxy]-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-3H-indol-1-ium chloride
    IUPAC:2-[(1E)-3-[(2E)-5-[(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)oxy]-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-3H-indol-1-ium chloride
  • InChI key:FHRNKBLFTPHSBL-UHFFFAOYSA-M
  • 分子式:C44H66ClN5O10
  • 分子量:860.49
  • 氢键供体数 (HBD):0
  • 氢键受体数 (HBA):13
  • LogP:2.4690409
  • SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(\C=C\C=C1\N(C)c3ccc(OCCOCCOCCOCCOCCN=[N+]=[N-])cc3C1(C)C)=[N+]2C |c:59|
    SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(\C=C\C=C1\N(C)c3ccc(OCCOCCOCCOCCOCCN=[N+]=[N-])cc3C1(C)C)=[N+]2C |c:59|
  • N-Methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3 is a polyethylene glycol (PEG) based linker commonly employed in the synthesis of Proteolysis Targeting Chimeras (PROTACs)[1].
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