NFAT Inhibitor-2 is a potent calcineurin NFAT signaling inhibitor. Calcineurin is a serine/threonine protein phosphatase regulated by Ca2+ and calmodulin. NFAT Inhibitor-2 may be used for studying inflammatory diseases, autoimmune diseases, cardiovascular diseases, neurodegenerative diseases, diseases with uncontrolled cell growth/proliferation and/or differentiation, angiogenesis-related diseases, allergies, anaphylaxis, and alopecia ( Information disclosed in patent WO2016207212A1, compound 17).

Physicochemical Properties

Molecular Formula	C22N2O4F2SH20
Molecular Weight	446.467
Exact Mass	446.111
CAS #	422546-87-0
PubChem CID	15995931
Appearance	White to off-white solid powder
LogP	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	31
Complexity	694
Defined Atom Stereocenter Count	0
SMILES	FC1C=CC(C(NC2C=CC(C)=C(F)C=2)=O)=CC=1S(=O)(=O)NCC1C=CC(OC)=CC=1
InChi Key	UILNVCFXMNSVLA-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H20F2N2O4S/c1-14-3-7-17(12-20(14)24)26-22(27)16-6-10-19(23)21(11-16)31(28,29)25-13-15-4-8-18(30-2)9-5-15/h3-12,25H,13H2,1-2H3,(H,26,27)
Chemical Name	4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide
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

References

[1]. Therapeutic uses of non-peptide inhibitors of the calcineurin - nfat signalling pathway. Patent WO2016207212A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~279.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.66 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 (4.66 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	2.2398 mL	11.1990 mL	22.3979 mL
	5 mM	0.4480 mL	2.2398 mL	4.4796 mL
	10 mM	0.2240 mL	1.1199 mL	2.2398 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.