Name: Desacetylvinblastine
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219251530
Cas No:3352-69-0
常用名:Desacetylvinblastine
别名:Desacetylvincaleukoblastine, Desacetylvinblastine, 4-Desacetylvinblastine
别名:Desacetylvincaleukoblastine, Desacetylvinblastine, 4-Desacetylvinblastine
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(1R,13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(1R,13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
InChI key:NDMPLJNOPCLANR-XQLDGQACSA-N

分子式:C44H56N4O8
分子量:768.952
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](O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCc2c1[nH]c1ccccc21)C(=O)OC
SMILES:[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCc2c1[nH]c1ccccc21)C(=O)OC

Desacetylvinblastine (4-Desacetylvinblastine) 是长春碱的关键代谢产物和强效细胞毒性剂。虽然 Desacetylvinblastine 自身的抗肿瘤效果不理想，但在与特定共轭物结合时能够展现出显著的抗肿瘤活性。

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