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HIT212668186
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HIT212668186
  • HIT ID:HIT212668186
  • Cas No:1415246-35-3
  • 常用名:PEG4-aminooxy-MMAF
  • IUPAC:(2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-2-[(13S)-1-(aminooxy)-12-methyl-13-(propan-2-yl)-3,6,9-trioxa-12-azatetradecan-14-amido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid
    IUPAC:(2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-2-[(13S)-1-(aminooxy)-12-methyl-13-(propan-2-yl)-3,6,9-trioxa-12-azatetradecan-14-amido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid
  • InChI key:OJYZGXVPCDZLCK-KVEFUIBJSA-N
  • 分子式:C47H82N6O12
  • 分子量:923.203
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):14
  • LogP:0.6789899
  • SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
    SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
  • PEG4-aminooxy-MMAF is a drug-linker conjugate designed for antibody-drug conjugates (ADC) that exhibits potent antitumor activity. It incorporates MMAF, a powerful antitubulin agent, connected through a non-cleavable PEG4 linker[1].
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