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HIT212668114
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HIT212668114
  • HIT ID:HIT212668114
  • Cas No:2107273-62-9
  • 常用名:N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3
    常用名:N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3
  • 别名:n-methyl-n-methyl-o-m-peg4-o-propargyl-peg4-cy3
    别名:n-methyl-n-methyl-o-m-peg4-o-propargyl-peg4-cy3
  • IUPAC:1,3,3-trimethyl-5-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)-2-[(1E)-3-[(2Z)-1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride
    IUPAC:1,3,3-trimethyl-5-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)-2-[(1E)-3-[(2Z)-1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride
  • InChI key:QGHYDHVFAUHMTA-UHFFFAOYSA-M
  • 分子式:C45H65ClN2O10
  • 分子量:829.47
  • 氢键供体数 (HBD):0
  • 氢键受体数 (HBA):11
  • LogP:2.5668817
  • SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2N(C)\C(=C/C=C/C3=[N+](C)c4ccc(OCCOCCOCCOCCOCC#C)cc4C3(C)C)C(C)(C)c2c1 |c:24|
    SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2N(C)\C(=C/C=C/C3=[N+](C)c4ccc(OCCOCCOCCOCCOCC#C)cc4C3(C)C)C(C)(C)c2c1 |c:24|
  • N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3 is a polyethylene glycol (PEG)-based linker used for the synthesis of proteolysis targeting chimeras (PROTACs) [1].
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