FTY720 (S)-Phosphate is an S1P receptor 1 (S1PR1) agonist that may be utilized to study acute inflammation such as acute lung injury.

Physicochemical Properties

Molecular Formula	C20H36NO4P
Molecular Weight	385.477907180786
Exact Mass	385.238
CAS #	1142015-10-8
Related CAS #	FTY720 (S)-Phosphate;402616-26-6
PubChem CID	42612062
Appearance	White to off-white solid powder
LogP	1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Heavy Atom Count	26
Complexity	407
Defined Atom Stereocenter Count	1
SMILES	C(P(O)(O)=O)C[C@](N)(CO)CCC1=CC=C(CCCCCCCC)C=C1
InChi Key	XDSPSYJWGHPIAZ-FQEVSTJZSA-N
InChi Code	InChI=1S/C20H36NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,22H,2-8,13-17,21H2,1H3,(H2,23,24,25)/t20-/m0/s1
Chemical Name	[(3S)-3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid
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	S1PR1[1]
ln Vitro	FTY720 (S)-Phosphate functions as an S1PR1 agonist. FTY720 (S)-Phosphate (Tys, 1 μM) does not affect the induction of S1PR1 ubiquitination, but it does sustain the expression of the S1PR1 protein and improve the human pulmonary artery endothelial cells barrier through S1PR1. Additionally, FTY720 (S)-Phosphate (0.01–50 μM) lessens the recruitment of β-arrestin to S1PR1[1].
ln Vivo	In mice suffering from bleomycin-induced acute lung injury (ALI), FTY720 (S)-Phosphate (0.5 mg/kg, ip) reduces lung tissue leukocyte infiltration and maintains S1PR1 expression in the lungs[1].
References	[1]. FTY720 (s)-phosphonate preserves sphingosine 1-phosphate receptor 1 expression and exhibits superior barrier protection to FTY720 in acute lung injury. Crit Care Med. 2014 Mar;42(3):e189-99. [2]. Clostridium butyricum CGMCC0313.1 Protects against Autoimmune Diabetes by Modulating Intestinal Immune Homeostasis and Inducing Pancreatic Regulatory T Cells. Front Immunol. 2017 Oct 19;8:1345.

Solubility Data

Solubility (In Vitro)

DMSO: 25 mg/mL (64.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.49 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline 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	2.5942 mL	12.9708 mL	25.9417 mL
	5 mM	0.5188 mL	2.5942 mL	5.1883 mL
	10 mM	0.2594 mL	1.2971 mL	2.5942 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.