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HIT214314617
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HIT214314617
  • HIT ID:HIT214314617
  • Cas No:23360-92-1
  • 常用名:Vinleurosine
  • 别名:长春素
  • IUPAC:methyl (1R,13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-10-(methoxycarbonyl)-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.0^{4,12}.0^{5,10}.0^{16,18}]icosa-4(12),5,7,9-tetraene-13-carboxylate
    IUPAC:methyl (1R,13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-10-(methoxycarbonyl)-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.0^{4,12}.0^{5,10}.0^{16,18}]icosa-4(12),5,7,9-tetraene-13-carboxylate
  • InChI key:LPGWZGMPDKDHEP-NVDFJPPOSA-N
  • 分子式:C46H56N4O9
  • 分子量:808.973
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@]2([H])C[N@](C[C@]3(CC)O[C@H]23)CCc2c1[nH]c1ccccc21)C(=O)OC |c:32|
    SMILES:[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@]2([H])C[N@](C[C@]3(CC)O[C@H]23)CCc2c1[nH]c1ccccc21)C(=O)OC |c:32|
  • Vinleurosine can partially inhibit the energy dependent transport of alpha-aminoisobutyric acid in Ehrlich ascites tumor cells.
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