SLF1081851 is a Spns2 inhibitor that can suppress S1P release (IC50=1.93 μM). SLF1081851 plays critical roles in development and the immune system.

Physicochemical Properties

Molecular Formula	C21H33N3O
Molecular Weight	343.506225347519
Exact Mass	343.262
CAS #	2763730-97-6
Related CAS #	SLF1081851 TFA;2763730-98-7
PubChem CID	164517202
Appearance	White to off-white solid powder
LogP	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Heavy Atom Count	25
Complexity	318
Defined Atom Stereocenter Count	0
SMILES	O1C(CCCN)=NC(C2=CC=C(CCCCCCCCCC)C=C2)=N1
InChi Key	VLTITRMWGPJCFJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22/h13-16H,2-12,17,22H2,1H3
Chemical Name	3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
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	Spns2 keeps lymphatic sphingosine-1-phosphate (S1P), a pleiotropic signaling protein, under check [1]. Compound 16d, SLF1081851 (0-5 μM; 18-20 hours) inhibits S1P release in HeLa cells. SLF1081851 (0-30 μM; 20 minutes) inhibits mSphK1 (recombinant mouse SphK) (10 μM) and mSphK2 (5 μM). The effects of SLF1081851 are dose-dependent, with an IC50 value of 1.93 μM indicating a minimum of 15 times. (IC50 for PhK1 ≥30 μM; IC50 for PhK2 ≈30 μM)[1].
ln Vivo	The Spns2 solution's genetic phenotype is repaired and reflux and solution S1P are greatly inhibited by SLF1081851, (20 mg/kg; i.p., post-solution 4) [1].
Animal Protocol	Animal/Disease Models: C57BL/6 mice[1]: 20 mg/kg Route of Administration: intraperitoneal (ip) injection; blood draw results 4 hrs (hrs (hours)) after taking the drug: circulating lymphocyte count and plasma S1P concentration were Dramatically diminished. Animal/Disease Models: SpragueDawley mice (4 weeks old) [1] Doses: 10 mg/kg Route of Administration: intraperitoneal (ip) injection; single dose; measurement results at 0, 0.5, 1, 2, 4, 6 and 24 hrs (hrs (hours)) after Route of Administration: The maximum concentration of 5 μM is reached in the blood after 2 hrs (hrs (hours)), and the drug level is maintained at ≥ 2 μM for at least 24 hrs (hrs (hours)), proving that the lifespan of rats with half concentration exceeds 8 hrs (hrs (hours)). The appearance of SPNS2-IN-1 in the circulation was associated with a maximal reduction in lymphocyte counts at 4 h (25% reduction compared to time = 0).
References	[1]. Discovery of In Vivo Active Sphingosine-1-phosphate Transporter (Spns2) Inhibitors. J Med Chem. 2022 Jun 9;65(11):7656-7681.

Solubility Data

Solubility (In Vitro)

Ethanol : ~10 mg/mL (~29.11 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (2.91 mM) (saturation unknown) in 10% EtOH + 40% PEG300 +5% Tween-80 + 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 10.0 mg/mL clear EtOH stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 + to the above solution and mix evenly; then add 450 μL of 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. Solubility in Formulation 2: 6.67 mg/mL (19.42 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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	2.9111 mL	14.5556 mL	29.1112 mL
	5 mM	0.5822 mL	2.9111 mL	5.8222 mL
	10 mM	0.2911 mL	1.4556 mL	2.9111 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.