Name: Vinflunine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213887223
Cas No:162652-95-1
常用名:Vinflunine
别名:长春氟宁
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate
InChI key:NMDYYWFGPIMTKO-KLCPSUAYSA-N

分子式:C45H54F2N4O8
分子量:816.944
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@@H]3C[C@H](CN(C3)Cc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |c:3|
SMILES:CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@@H]3C[C@H](CN(C3)Cc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |c:3|

Vinflunine is a new vinca alkaloid uniquely fluorinated with the properties of mitotic-arresting and tubulin-interacting activity.

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