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  3. HIT214322672
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HIT214322672
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HIT214322672
  • HIT ID:HIT214322672
  • Cas No:1609105-89-6
  • 常用名:Thailanstatin D
  • IUPAC:2-[(3S,5S,7S)-7-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[(2Z,4S)-4-(acetyloxy)pent-2-enamido]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dien-1-yl]-1,6-dioxaspiro[2.5]octan-5-yl]acetic acid
    IUPAC:2-[(3S,5S,7S)-7-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[(2Z,4S)-4-(acetyloxy)pent-2-enamido]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dien-1-yl]-1,6-dioxaspiro[2.5]octan-5-yl]acetic acid
  • InChI key:QPCQVHMOLDTVHX-LYSKETOYSA-N
  • 分子式:C28H41NO8
  • 分子量:519.635
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:C[C@H](OC(C)=O)\C=C/C(=O)N[C@@H]1C[C@H](C)[C@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)C[C@@H](CC(O)=O)O2)O[C@@H]1C
    SMILES:C[C@H](OC(C)=O)\C=C/C(=O)N[C@@H]1C[C@H](C)[C@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)C[C@@H](CC(O)=O)O2)O[C@@H]1C
  • Thailanstatin D, an analogue of Thailanstatin A, inhibits AR-V7 gene splicing by disrupting the interaction between U2AF65 and SAP155, hindering their binding to the polypyrimidine tract situated between the branch point and the 3' splice site. This compound displays potent tumor inhibitory properties in human castration-resistant prostate cancer (CRPC) xenografts, resulting in cellular apoptosis.
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