Filapixant is a purinergic receptor antagonist. For more details, check and find compound 348 from the patent WO2016091776A1. Filapixant is the active control substance of Eliapixant.

Physicochemical Properties

Molecular Formula	C24H26F3N5O3S
Molecular Weight	521.555154323578
Exact Mass	521.17
CAS #	1948232-63-0
PubChem CID	121397607
Appearance	White to light yellow solid powder
LogP	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Heavy Atom Count	36
Complexity	728
Defined Atom Stereocenter Count	2
SMILES	S1C(C)=CN=C1C1C=C(C(N[C@H](C)C2=CN=C(C(F)(F)F)N=C2)=O)C=C(C=1)OC[C@H]1CN(C)CCO1
InChi Key	MROBUJILSMBILX-FOIQADDNSA-N
InChi Code	InChI=1S/C24H26F3N5O3S/c1-14-9-28-22(36-14)17-6-16(7-19(8-17)35-13-20-12-32(3)4-5-34-20)21(33)31-15(2)18-10-29-23(30-11-18)24(25,26)27/h6-11,15,20H,4-5,12-13H2,1-3H3,(H,31,33)/t15-,20-/m1/s1
Chemical Name	3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]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

Targets	purinoreceptor[1]
References	[1]. 1,3-thiazol-2-yl substituted benzamides. WO2016091776A1.

Solubility Data

Solubility (In Vitro)

DMSO: 146.67 mg/mL (281.21 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 5.5 mg/mL (10.55 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 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: 5.5 mg/mL (10.55 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 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. Solubility in Formulation 3: ≥ 5.5 mg/mL (10.55 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 55.0 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	1.9173 mL	9.5866 mL	19.1732 mL
	5 mM	0.3835 mL	1.9173 mL	3.8346 mL
	10 mM	0.1917 mL	0.9587 mL	1.9173 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.