Name: Vinblastine sulfate
Rating: 5 (10 reviews)

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HIT ID:HIT211998298
Cas No:143-67-9
常用名:Vinblastine sulfate
别名:硫酸长春碱, Vincaleukoblastine sulfate salt, NSC49842
别名:硫酸长春碱, Vincaleukoblastine sulfate salt, NSC49842
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(1S,13S,15S,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-hydroxy-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; sulfuric acid
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(1S,13S,15S,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-hydroxy-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; sulfuric acid
InChI key:KDQAABAKXDWYSZ-JKDPCDLQSA-N

分子式:C46H60N4O13S
分子量:909.06
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:4.1831455
SMILES:OS(O)(=O)=O.[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@](O)(CC)C2)CCc2c1[nH]c1ccccc21)C(=O)OC |c:36|
SMILES:OS(O)(=O)=O.[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@](O)(CC)C2)CCc2c1[nH]c1ccccc21)C(=O)OC |c:36|

Vinblastine sulfate (Vincaleukoblastine sulfate salt) 是对各种癌症类型有细胞毒性的生物碱。它可以抑制微管的形成，也可以抑制 nAChR，IC50值为8.9 μM。

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