SML1788

LJI308

≥98% (HPLC)

• Synonym(s): 2,6-Difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol, 2,6-Difluoro-4-[4-[4-(4-morpholinyl)phenyl]-3-pyridinyl]phenol
• Empirical Formula (Hill Notation): C₂₁H₁₈F₂N₂O₂
• CAS Number: 1627709-94-7
• Molecular Weight: 368.38
• MDL number: MFCD29905461
• UNSPSC Code: 12352200
• PubChem Substance ID: 329826065
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 5 mg/mL, clear (warmed)
• storage temp.: −20°C
• SMILES string: OC1=C(C=C(C=C1F)C2=C(C=CN=C2)C3=CC=C(C=C3)N4CCOCC4)F
• InChI: 1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
• InChI key: YUYJEQHNWKQNBT-UHFFFAOYSA-N

Description

Biochem/physiol Actions

LJI308 is potent pan-RSK inhibitor that targets RSK N-terminal kinase domain (NTKD) ATP-binding site (IC₅₀/[ATP] = 6 nM/5 μM/RSK1, 4 nM/20 μM/RSK2, 13 nM/10 μM/RSK3), exhibiting similary binding affinity toward RSK1-4, but much reduced inhibitory potency against S6K1 (IC₅₀ = 0.8 μM), MEK4 (IC₅₀ >10 μM), and HIP kinase 1 (IC₅₀ >1 μM). LJI308 effectivelfy reduces cellular Y-box binding protein-1 (YB1) Ser102 (EC₅₀ = 0.2-0.3 μM; MDA-MB-231 and H358 cells), but not ribosomal S6 protein (S6RP) S235/236, phosphorylation level and selectively inhibits the growth of YB1-overpressing HTRY-LT triple-negative breast cancer (TNBC) cells, but not the parental non-tumorigenic human mammary epithelial cell (HMEC) line HTRZ (% inhibition = 6.8%/HTRZ, 88%/HTRY-LT1, 66%/HTRY-LT2 in 8 days; 5 μM at 0 and 96 hr).

LJI308 is potent pan-RSK inhibitor that targets RSK N-terminal kinase domain ATP-binding site and inhibits YB1-dependent growth of cncer cells.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable