Name: ST-168
Rating: 5 (10 reviews)

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HIT ID:HIT212693010
Cas No:
常用名:ST-168
别名:ST168, ST 168
IUPAC:N-[2-(2-{2-[3-(4-{4-[2-(difluoromethyl)-1H-1,3-benzodiazol-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-3-oxopropoxy]ethoxy}ethoxy)ethoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
IUPAC:N-[2-(2-{2-[3-(4-{4-[2-(difluoromethyl)-1H-1,3-benzodiazol-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-3-oxopropoxy]ethoxy}ethoxy)ethoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
InChI key:XIUWBGIKSXLESW-UHFFFAOYSA-N

分子式:C41H44F5IN10O7
分子量:1010.762
氢键供体数 (HBD):2
氢键受体数 (HBA):14
LogP:7.762379
SMILES:FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
SMILES:FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1

ST-168 is a potent inhibitor of PI3K and MEK. ST-168 displays improved PI3K and MEK1 isoform inhibition. ST-168 demonstrated a 2.8-, 2.7-, 23-, and 2.5-fold improved inhibition toward the PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ isoforms and a 2.2-fold improvement in MEK1 inhibition respectively, as compared to a previous lead ST-162 in in vitro enzymatic inhibition assays. ST-168 demonstrated superior tumoricidal efficacy over ST-162 in an A375 melanoma spheroid tumor model.

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