Name: TPI-287
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219540314
Cas No:849213-15-6
常用名:TPI-287
IUPAC:(1R,2S,5R,7S,11R,12S,15S,17S,18S,19S)-2,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-ethenyl-17-hydroxy-14,19,20,20-tetramethyl-4,8,10-trioxapentacyclo[9.7.1.1^{13,17}.0^{2,5}.0^{7,19}]icos-13-en-18-yl benzoate
IUPAC:(1R,2S,5R,7S,11R,12S,15S,17S,18S,19S)-2,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-ethenyl-17-hydroxy-14,19,20,20-tetramethyl-4,8,10-trioxapentacyclo[9.7.1.1^{13,17}.0^{2,5}.0^{7,19}]icos-13-en-18-yl benzoate
InChI key:FDTAUJJRHBRHIJ-FDJAAIFISA-N

分子式:C46H63NO15
分子量:870.002
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]3([H])OC(O[C@@]4([H])[C@@H](OC(C)=O)C5=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c6ccccc6)[C@]([H])([C@@]1(CO2)OC(C)=O)[C@@]34C)C5(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C=C
SMILES:[H][C@@]12C[C@]3([H])OC(O[C@@]4([H])[C@@H](OC(C)=O)C5=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c6ccccc6)[C@]([H])([C@@]1(CO2)OC(C)=O)[C@@]34C)C5(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C=C

TPI 287 is a synthetic, third generation taxane with potential antineoplastic activity. TPI 287 binds to tubulin and stabilizes microtubules, resulting in inhibition of microtubule assembly/disassembly dynamics, cell cycle arrest at the G2/M phase, and apoptosis.

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