Name: GNE-555
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848111
Cas No:1428902-71-9
常用名:GNE-555
IUPAC:3-ethyl-1-{4-[(1R,9S)-6-[(3S)-3-methylmorpholin-4-yl]-12-(oxetan-3-yl)-3,5,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-4-yl]phenyl}urea
IUPAC:3-ethyl-1-{4-[(1R,9S)-6-[(3S)-3-methylmorpholin-4-yl]-12-(oxetan-3-yl)-3,5,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-4-yl]phenyl}urea
InChI key:NHJAMHLWORQRFH-XWFZLUIHSA-N

分子式:C26H34N6O3
分子量:478.597
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@]([H])(N1C1COC1)c1nc(nc(N3CCOC[C@@H]3C)c1C2)-c1ccc(NC(=O)NCC)cc1
SMILES:[H][C@@]12CC[C@@]([H])(N1C1COC1)c1nc(nc(N3CCOC[C@@H]3C)c1C2)-c1ccc(NC(=O)NCC)cc1

GNE-555, a selective and metabolically stable mTOR inhibitor (K i=1.5 nM), demonstrates good oral bioavailability and antiproliferative activity on PC3 and MCF-7 cells, making it suitable for cancer research [1] [2].

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