WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206015
Description: 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.
MedKoo Cat#: 206015
Chemical Formula: C26H32BrF3N8O
Exact Mass: 608.1835
Molecular Weight: 609.4962
Elemental Analysis: C, 51.24; H, 5.29; Br, 13.11; F, 9.35; N, 18.39; O, 2.62
Synonym: XL418; XL-418; X 418
IUPAC/Chemical 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
InChi Key: IKBSEBRGSVFUHM-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: O=C(C1=CC(NCCN2CCCC2)=C(C)C(N3CCN(C4=C5C(NN=C5Br)=NC=N4)CC3)=C1)CCC(F)(F)F