CYM50358 is a potent and specific S1PR4 antagonist (inhibitor) with IC50 of 25 nM. CYM50358 may be utilized to study influenza infection.

Physicochemical Properties

Molecular Formula	C20H18CL2N2O2
Molecular Weight	389.2751
Exact Mass	388.074
CAS #	1314212-39-9
PubChem CID	53358422
Appearance	Off-white to yellow solid powder
LogP	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	480
Defined Atom Stereocenter Count	0
SMILES	ClC1C([H])=C([H])C(=C([H])C=1C1=C([H])C([H])=C(C(N([H])C2C(C([H])([H])[H])=C([H])C(C([H])([H])N([H])[H])=C([H])C=2C([H])([H])[H])=O)O1)Cl
InChi Key	QWJOPXDAQCDRRM-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
Chemical Name	N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
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	S1PR4 25 nM (IC50)
ln Vitro	S1PR1 is weakly inhibited by CYM50358 (IC50=6.4 μM)[1]. CYM50358 (10 μM) dramatically counteracts S1P's inhibitory effect on collagen-induced HSP27 phosphorylation while having no effect on collagen-induced HSP27 phosphorylation [2].
References	[1]. Discovery, design and synthesis of the first reported potent and selective sphingosine-1-phosphate 4 (S1P4) receptor antagonists. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3632-6. [2]. Sphingosine 1-phosphate (S1P) suppresses the collagen-induced activation of human platelets via S1P4 receptor. Thromb Res. 2017 Aug;156:91-100.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (321.11 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.34 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.34 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 20.8 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	2.5688 mL	12.8442 mL	25.6885 mL
	5 mM	0.5138 mL	2.5688 mL	5.1377 mL
	10 mM	0.2569 mL	1.2844 mL	2.5688 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.