JNJ-47117096 is a potent and selective MELK inhibitor with an IC50 of 23 nM; it also has a stronger effect on Flt3 with an IC50 of 18 nM.

Physicochemical Properties

Molecular Formula	C21H22N4O2
Molecular Weight	362.43
CAS #	1610586-62-3
Related CAS #	JNJ-47117096 hydrochloride;1610536-69-0
SMILES	O(C)C1C=C(C2C=NNC=2)C=CC=1C(NC1C=CC2CCNCCC=2C=1)=O
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 23 nM (MELK), 18 nM (Flt3)[1]
ln Vitro	JNJ-47117096 is a potent and selective MELK inhibitor with an IC50 of 23 nM. It also effectively inhibits Flt3 with an IC50 of 18 nM and mildly blocks CAMKIIδ, Mnk2, CAMKIIγ, and MLCK (IC50, 810 nM, 760 nM, 1000 nM, 1000 nM). JNJ-47117096 (MELK-T1) inhibits the proliferation of Flt3-driven Ba/F3 cell lines with an IC50 of 1.5 μM in the absence of IL-3, while no inhibitory activity was observed in the presence of IL-3. JNJ-47117096 does not inhibit the proliferation of Ba/F3 cell lines transfected with FGFR1, FGFR3, or KDR, in the presence or absence of IL-3[1]. JNJ-47117096 (MELK-T1, 10 μM) delays the entry of MCF-7 cells into the S phase. JNJ-47117096 inhibits MELK, which then causes stalled replication forks and DNA double-strand breaks (DSBs). JNJ-47117096 activates the ATM-mediated DNA damage response (DDR). JNJ-47117096 (3, 10 μM) causes growth arrest and senescence phenotypes. In addition, JNJ-47117096 induces robust phosphorylation of p53, prolonged upregulation of p21, and downregulation of FOXM1 target genes [2].
References	[1]. Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase. ACS Med Chem Lett. 2014 May 23;6(1):25-30. [2]. MELK-T1, a small-molecule inhibitor of protein kinase MELK, decreases DNA-damage tolerance in proliferating cancer cells. Biosci Rep. 2015 Oct 2;35(6). pii: e00267. [3]. Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase. ACS Med Chem Lett. 2014 May 23;6(1):25-30. [4]. MELK-T1, a small-molecule inhibitor of protein kinase MELK, decreases DNA-damage tolerance in proliferating cancer cells. Biosci Rep. 2015 Oct 2;35(6). pii: e00267.

Solubility Data

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7592 mL	13.7958 mL	27.5915 mL
	5 mM	0.5518 mL	2.7592 mL	5.5183 mL
	10 mM	0.2759 mL	1.3796 mL	2.7592 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.