Name: Cevipabulin fumarate
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212671746
Cas No:849550-67-0
常用名:Cevipabulin fumarate
别名:TTI-237 fumarate
IUPAC:(2E)-but-2-enedioic acid; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
IUPAC:(2E)-but-2-enedioic acid; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
InChI key:TUXZQBYIZLWUKK-AFIAKLHKSA-N

分子式:C22H22ClF5N6O5
分子量:580.9
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.441029
SMILES:OC(=O)\C=C\C(O)=O.CNCCCOc1cc(F)c(c(F)c1)-c1c(Cl)nc2ncnn2c1N[C@@H](C)C(F)(F)F
SMILES:OC(=O)\C=C\C(O)=O.CNCCCOc1cc(F)c(c(F)c1)-c1c(Cl)nc2ncnn2c1N[C@@H](C)C(F)(F)F

Cevipabulin (TTI-237) fumarate is a microtubule-active antitumor compound and inhibits the binding of [3H] vinblastine to tubulin (IC50: 18-40 nM in the human tumor cell line).

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