XL-418
CAS 871343-09-8 MFCD71343098
化学结构图
SMILES: Cc1c(NCCN2CCCC2)cc(C(=O)CCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1
化学属性
| Mol. Weight | 609.4962 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | XL-418 |
|---|---|
| Formula | C26H32BrF3N8O |
| Synonym | XL418; XL-418; X 418 |
| IUPAC Name | 1-(3-(4-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-4-methyl-5-((2-(pyrrolidin-1-yl)ethyl)amino)phenyl)-4,4,4-trifluorobutan-1-one |
| InChIKey | IKBSEBRGSVFUHM-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35) |
| Canonical SMILES | O=C(C1=CC(NCCN2CCCC2)=C(C)C(N3CCN(C4=C5C(NN=C5Br)=NC=N4)CC3)=C1)CCC(F)(F)F |
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产品应用
- XL-418 is a selective, orally active small molecule, targeting protein kinase B (PKB or AKT) and ribosomal protein S6 Kinase (p70S6K), with potential antineoplastic activity. XL418 inhibits the activities of PKB and p70S6K, both acting downstream of phosphoinosotide-3 kinase (PI3K). These kinases are often upregulated in a variety of cancers. Inhibition of PKB by this agent will induce apoptosis, while inhibition of p70S6K will result in the inhibition of translation within tumor cells.
