MMV390048 is a Plasmodium PI4K inhibitor (Kdapp=0.3 µM). MMV390048 binds to the ATP-binding site of Plasmodium PI4K and does not bind to other Plasmodium falciparum and kinases except human PIP4K2C, thereby mitigating potential kinase-mediated safety issues. MMV390048 is an antimalarial agent.

Physicochemical Properties

Molecular Formula	C18H14F3N3O2S
Molecular Weight	393.3842
Exact Mass	393.075
CAS #	1314883-11-8
PubChem CID	53311393
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	534.4±50.0 °C at 760 mmHg
Flash Point	277.0±30.1 °C
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.575
LogP	3.06
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	27
Complexity	600
Defined Atom Stereocenter Count	0
InChi Key	RTJQABCNNLMCJF-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
Chemical Name	5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
Synonyms	MMV 390048; MMV-390048; MMV390048
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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

ln Vitro	With IC50 and IC90 values of 28 and 40 nM, respectively, MMV390048 displays a steep inhibition curve against the intraerythrocytic life cycle stage of Plasmodium falciparum (NF54 drug-sensitive strain).
References	[1]. Antimalarial efficacy of MMV390048, an inhibitor of Plasmodium phosphatidylinositol 4-kinase. Sci Transl Med. 2017 Apr 26;9(387). pii: eaad9735.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~254.21 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5421 mL	12.7104 mL	25.4207 mL
	5 mM	0.5084 mL	2.5421 mL	5.0841 mL
	10 mM	0.2542 mL	1.2710 mL	2.5421 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.