GNE-0439 is a new selective inhibitor of Nav1.7 with IC50 of 0.34 uM and inhibits Nav1.5 with IC50 of 38.3 μM. GNE-0439 inhibits mutant N1742K channel in membrane potential assay (IC50=0.37 uM). GNE-0439 has a carboxylic acid group that binds outside the channel pore, unlike known selective VSD4 binders.

Physicochemical Properties

Molecular Formula	C21H31NO3
Molecular Weight	345.475746393204
Exact Mass	345.23
CAS #	1241902-40-8
PubChem CID	92138726
Appearance	White to off-white solid powder
LogP	6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	25
Complexity	432
Defined Atom Stereocenter Count	1
SMILES	O=C(C1C=CC(=CC=1)C1CCC(CCC)CC1)N[C@H](C(=O)O)C(C)C
InChi Key	SKMKUWKJBZSEJH-RJYAGPCLSA-N
InChi Code	InChI=1S/C21H31NO3/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19(14(2)3)21(24)25/h10-16,19H,4-9H2,1-3H3,(H,22,23)(H,24,25)/t15?,16?,19-/m0/s1
Chemical Name	(2S)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoic acid
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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: 0.34 uM (Nav1.7)[1]
References	[1]. Mechanism-specific assay design facilitates the discovery of Nav1.7-selective inhibitors. Proc Natl Acad Sci U S A. 2018 Jan 23;115(4):E792-E801.

Solubility Data

Solubility (In Vitro)

DMSO: 130 mg/mL (376.29 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3.25 mg/mL (9.41 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 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 3.25 mg/mL (9.41 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 32.5 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: ≥ 3.25 mg/mL (9.41 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 32.5 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	2.8945 mL	14.4726 mL	28.9452 mL
	5 mM	0.5789 mL	2.8945 mL	5.7890 mL
	10 mM	0.2895 mL	1.4473 mL	2.8945 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.