Eliapixant (BAY-1817080) is a potent and selective antagonist of P2X3 purinoreceptor (IC50 = 8 nM) and may be used for treating refractory chronic cough.

Physicochemical Properties

Molecular Formula	C22H21F3N4O3S
Molecular Weight	478.4874
Exact Mass	478.13
Elemental Analysis	C, 55.22; H, 4.42; F, 11.91; N, 11.71; O, 10.03; S, 6.70
CAS #	1948229-21-7
PubChem CID	121397587
Appearance	White to off-white solid powder
Density	1.360±0.06 g/cm3(Predicted)
LogP	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	33
Complexity	665
Defined Atom Stereocenter Count	2
SMILES	S1C(C([H])([H])[H])=C([H])N=C1C1=C([H])C(C(N([H])[C@]([H])(C([H])([H])[H])C2=C([H])N=C(C(F)(F)F)N=C2[H])=O)=C([H])C(=C1[H])O[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H]
InChi Key	GTQPEQGDLVSFJO-CXAGYDPISA-N
InChi Code	InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1
Chemical Name	3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
Synonyms	Eliapixant; BAY 1817080; BAY-1817080; BAY1817080;
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	IC50: 8 nM (P2X3 receptor)[1]
ln Vivo	Eliapixant has applications in the research of cough and diabetic problems [1].
References	[1]. P2X3 Receptor Ligands: Structural Features and Potential Therapeutic Applications. Front Pharmacol. 2021 Apr 13;12:653561. [2]. Eliapixant (BAY 1817080), a P2X3 receptor antagonist, in refractory chronic cough: a randomised, placebo-controlled, crossover phase 2a study. Eur Respir J. 2021 May 13;2004240.
Additional Infomation	Eliapixant is an orally bioavailable antagonist of the purinergic receptor P2X ligand-gated ion channel 3 (P2RX3), which may potentially be used to suppress pain and chronic cough. Upon oral administration, eliapixant selectively binds to and inhibits P2RX3 expressed on sensory nerve fibers. This may inhibit P2RX3-mediated afferent nerve fiber signaling including respiratory tract afferent nerve fiber signaling, and result in the suppression of pain and chronic cough. P2RX3 plays an important role in the cough reflex. It is also a natural mediator of pain and neurogenic inflammation. Drug Indication Treatment of unexplained or chronic refractory cough

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~69.66 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.22 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 25.0 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	2.0899 mL	10.4495 mL	20.8991 mL
	5 mM	0.4180 mL	2.0899 mL	4.1798 mL
	10 mM	0.2090 mL	1.0450 mL	2.0899 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.