Name: Lexibulin dihydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212672044
Cas No:917111-49-0
常用名:Lexibulin dihydrochloride
别名:CYT-997 dihydrochloride
IUPAC:3-ethyl-1-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea dihydrochloride
IUPAC:3-ethyl-1-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea dihydrochloride
InChI key:HGDCRTLMRFHNOZ-TXEPZDRESA-N

分子式:C24H32Cl2N6O2
分子量:507.46
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:4.345781
SMILES:Cl.Cl.CCC[C@H](Nc1nc(ncc1C)-c1ccc(NC(=O)NCC)c(OC)c1)c1cccnc1
SMILES:Cl.Cl.CCC[C@H](Nc1nc(ncc1C)-c1ccc(NC(=O)NCC)c(OC)c1)c1cccnc1

Lexibulin 2Hcl is an effective tubulin polymerization inhibitor (IC50: 10-100 nM in cancer cell lines). It also has potent cytotoxic and vascular disrupting activity in vitro and in vivo.

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