EC5026 (BPN19186) is a novel, first-in-class, potent and orally bioabailable inhibitor of soluble Epoxide Hydrolase (sEH). EC5026 has the potential to relieve pain by stabilizing natural analgesic and anti-inflammatory mediators.

Physicochemical Properties

Molecular Formula	C18H23F4N3O3
Molecular Weight	405.387138605118
Exact Mass	405.167
CAS #	1809885-32-2
Related CAS #	(Rac)-EC5026;1809885-55-9
PubChem CID	91933845
Appearance	White to off-white solid powder
LogP	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	539
Defined Atom Stereocenter Count	1
SMILES	FC1=C(C=CC(=C1)NC(NC1CCN(C([C@@H](C)CC)=O)CC1)=O)OC(F)(F)F
InChi Key	LHRXHTKENPCGSZ-NSHDSACASA-N
InChi Code	InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
Chemical Name	(S)-1-(3-fluoro-4-(trifluoromethoxy)phenyl)-3-(1-(2-methylbutanoyl)piperidin-4-yl)urea
Synonyms	BPN-19186 EC5026BPN 19186 EC 5026BPN19186 EC-5026
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

ln Vivo	EC5026 (BPN-19186) soothes pain in dogs, cats, and horses that occurs naturally and has demonstrated effectiveness in treating pain in experimental animals without showing any negative or addictive consequences [1].
References	[1]. EicOsis Announces FDA Acceptance of IND Application for EC5026, the First Soluble Epoxide Hydrolase Inhibitor to Treat Pain.2019.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 250 mg/mL (~616.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.13 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 (5.13 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 20.8 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: ≥ 2.08 mg/mL (5.13 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	2.4668 mL	12.3338 mL	24.6676 mL
	5 mM	0.4934 mL	2.4668 mL	4.9335 mL
	10 mM	0.2467 mL	1.2334 mL	2.4668 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.