GLPG2938 is a potent and specific S1P2 antagonist. GLPG2938 may be utilized in the research/study of idiopathic pulmonary fibrosis.

Physicochemical Properties

Molecular Formula	C20H19F6N7O2
Molecular Weight	503.400984048843
Exact Mass	503.15
Elemental Analysis	C, 47.72; H, 3.80; F, 22.64; N, 19.48; O, 6.36
CAS #	2130996-00-6
PubChem CID	137377911
Appearance	White to off-white solid powder
LogP	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	35
Complexity	712
Defined Atom Stereocenter Count	0
InChi Key	MGJMUVKYINFAQC-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H19F6N7O2/c1-4-35-15-7-11(6-14(29-15)19(21,22)23)28-18(34)27-8-12-5-10(2)16(31-30-12)13-9-33(3)32-17(13)20(24,25)26/h5-7,9H,4,8H2,1-3H3,(H2,27,28,29,34)
Chemical Name	1-[2-ethoxy-6-(trifluoromethyl)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
Synonyms	MUN-96006; MUN96006; MUN 96006; GLPG-2938; GLPG2938; GLPG 2938
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
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	S1PR2
ln Vitro	GLPG2938 (0.5~5 μM; HPF cells) significantly inhibits the S1P-mediated contraction at all tested concentrations[1].
ln Vivo	GLPG2938 (1~10 mg/kg; p.o.) exhibits a strong protective effect at every dose tested, which causes the Ashcroft score to drop statistically significantly[1]. GLPG2938 exhibits favorable pharmacokinetic properties in all species, particularly in dogs, including a long half-life, low clearance, and good bioavailability[1].
Animal Protocol	Male C57BL/6 mice 1~10 mg/kg P.o.
References	[1]. Discovery of the S1P2 Antagonist GLPG2938 (1-[2-Ethoxy-6-(trifluoromethyl)-4-pyridyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea), a Preclinical Candidate for the Treatment of Idiopathic Pulmonary Fibrosis. J Med Chem . 2021 May 13;64(9):6037-6058.

Solubility Data

Solubility (In Vitro)

DMSO: ~100 mg/mL (~198.7 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.97 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.13 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.9865 mL	9.9325 mL	19.8649 mL
	5 mM	0.3973 mL	1.9865 mL	3.9730 mL
	10 mM	0.1986 mL	0.9932 mL	1.9865 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.