WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206015
CAS#: 871343-09-8
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
Name: XL-418
CAS#: 871343-09-8
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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >5 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 609.4962 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
