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HIT212667956
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HIT212667956
  • HIT ID:HIT212667956
  • Cas No:
  • 常用名:Mal-PEG4-bis-PEG3-methyltetrazine
    常用名:Mal-PEG4-bis-PEG3-methyltetrazine
  • IUPAC:N-[1,3-bis({2-[(2-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethoxy})propan-2-yl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amide
    IUPAC:N-[1,3-bis({2-[(2-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethoxy})propan-2-yl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-amide
  • InChI key:WLVVAWAUKNCOQP-UHFFFAOYSA-N
  • 分子式:C65H95N15O20
  • 分子量:1406.56
  • 氢键供体数 (HBD):6
  • 氢键受体数 (HBA):28
  • LogP:-4.9029684
  • SMILES:Cc1nnc(nn1)-c1ccc(CC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)Cc2ccc(cc2)-c2nnc(C)nn2)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)cc1 |c:97|
    SMILES:Cc1nnc(nn1)-c1ccc(CC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)Cc2ccc(cc2)-c2nnc(C)nn2)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)cc1 |c:97|
  • Mal-PEG4-bis-PEG3-methyltetrazine, a cleavable 7-unit PEG ADC linker, is employed in the synthesis of antibody-drug conjugates (ADCs)[1].
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