| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 0.34 uM (Nav1.7)[1]
Nav1.7 (IC50 = 0.34 microM). Also inhibits Nav1.5 (IC50 = 38.3 microM) and the mutant N1742K channel (IC50 = 0.37 microM). |
|---|---|
| ln Vitro |
GNE-0439 selectively inhibits Nav1.7 with an IC50 of 0.34 uM, showing 113-fold selectivity over Nav1.5 (IC50 = 38.3 uM). It also inhibits the mutant N1742K channel with an IC50 of 0.37 uM in membrane potential assays but is much less active against the R1608A mutation (IC50 >50 uM).
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| ln Vivo |
No specific in vivo data is detailed in the search results. However, as a potent and selective Nav1.7 inhibitor, GNE-0439 would be expected to have analgesic effects in vivo and is likely being studied for this purpose.
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| Enzyme Assay |
For binding assays, membrane potential-sensitive dyes are used. HEK293 cells expressing Nav1.7 channels are depolarized with veratridine. The test compound's ability to inhibit this depolarization is measured using a fluorescence plate reader. IC50 values are calculated from dose-response curves.
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| Cell Assay |
HEK293 cells expressing human Nav1.7 channels are cultured in DMEM with 10% FBS. Whole-cell patch-clamp electrophysiology is performed to measure sodium currents. GNE-0439 is applied at varying concentrations (0.001-100 uM), and the reduction in current is measured to calculate the IC50.
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| Animal Protocol |
In vivo, GNE-0439 is formulated in a suitable vehicle (e.g., 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline) and administered to rodents via intraperitoneal or oral routes. Analgesic efficacy is assessed in models of pain, such as the formalin test or CFA-induced hyperalgesia.
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| ADME/Pharmacokinetics |
No specific PK data is available. The compound has a molecular weight of 345.48 and is highly lipophilic (LogP = 6), which suggests high plasma protein binding, extensive tissue distribution, and likely low oral bioavailability. Its half-life and clearance are unknown.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available. The high lipophilicity (LogP = 6) and high protein binding suggest a risk of off-target toxicity. As a Nav1.7 inhibitor, the primary risk is loss of pain sensation, but this is the therapeutic goal. Off-target activity on cardiac Nav1.5 could cause arrhythmias.
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| References | |
| Additional Infomation |
GNE-0439 is a research tool for studying the role of Nav1.7 channels in pain signaling. Its unique binding mode (outside the pore) makes it a valuable tool for probing channel structure and function.
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| Molecular Formula |
C21H31NO3
|
|---|---|
| Molecular Weight |
345.475746393204
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| Exact Mass |
345.23
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| CAS # |
1241902-40-8
|
| PubChem CID |
92138726
|
| Appearance |
White to off-white solid powder
|
| LogP |
6
|
| Hydrogen Bond Donor Count |
2
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| 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
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| 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
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| Chemical Name |
(2S)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoic acid
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 130 mg/mL (376.29 mM)
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|---|---|
| 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. View More
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. |
| 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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