| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
ABBV-318 targets voltage-gated sodium channels Nav1.7 and Nav1.8, which are key mediators of pain signaling. It acts as a channel blocker of Nav1.7 and Nav1.8. The compound has an IC₅₀ of 2.8 μM for hNav1.7 and 3.8 μM for hNav1.8. It also demonstrates inhibitory activity on human Nav1.5 and rat Nav1.7 channels.
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| ln Vitro |
In vitro, ABBV-318 exhibits bioactivity related to membrane potential through FRET-Based Membrane Potential Assays on several ion channels, including recombinant human Nav1.7 and Nav1.8 with IC₅₀ values of 2980.0 nM and 3850.0 nM, respectively. It is a potent Nav1.7/Nav1.8 blocker with IC₅₀ values of 2.8 μM and 3.8 μM for hNav1.7 and hNav1.8 inhibition, respectively.
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| ln Vivo |
In vivo, ABBV-318 demonstrates antinociceptive and antiallodynic effects in rat models of osteoarthritis and neuropathic pain. It has good oral bioavailability and pharmacokinetic properties, particularly in rats, dogs, and monkeys, with promising clearance rates and volume of distribution. The compound also has excellent solubility and permeability, as well as a favorable brain-to-plasma free drug concentration ratio in rats.
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| Enzyme Assay |
ABBV-318's sodium channel blocking activity is assessed using FRET-Based Membrane Potential Assays on recombinant human Nav1.7 and Nav1.8 channels. The compound's inhibitory activity is quantified by IC₅₀ values of 2980.0 nM and 3850.0 nM for hNav1.7 and hNav1.8, respectively. Selectivity against other sodium channel subtypes such as Nav1.5 can also be evaluated.
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| Cell Assay |
In vitro cell-based experiments involve treating cells expressing recombinant human Nav1.7 and Nav1.8 channels with ABBV-318 and measuring channel activity using fluorescence-based membrane potential assays. The compound's inhibitory effects are quantified by IC₅₀ values. The compound's solubility and permeability can also be assessed in cell-based models.
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| Animal Protocol |
In vivo animal studies have been conducted using rat models of osteoarthritis and neuropathic pain to evaluate ABBV-318's antinociceptive and antiallodynic effects. The compound is typically administered orally. Pharmacokinetic parameters, including bioavailability, clearance rates, and volume of distribution, are assessed in rats, dogs, and monkeys.
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| ADME/Pharmacokinetics |
ABBV-318 has good oral bioavailability and pharmacokinetic properties, particularly in rats, dogs, and monkeys, with promising clearance rates and volume of distribution. It also has excellent solubility and permeability, as well as a favorable brain-to-plasma free drug concentration ratio in rats. The compound is stored as a powder at -20°C for 3 years or in solvent at -80°C for 1 year.
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| Toxicity/Toxicokinetics |
ABBV-318 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be stored at -80°C and shipped on dry ice packs. Standard laboratory safety practices should be followed when handling the compound.
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| References | |
| Additional Infomation |
ABBV-318 is a small molecule Nav1.7/Nav1.8 blocker for the treatment of pain, with IC₅₀ values of 2.8 μM for hNav1.7 and 3.8 μM for hNav1.8. It can be used to study pain-related disorders. The compound was discovered by Patel MV, Peltier HM, Matulenko MA, et al. (2022) and has a CAS number of 1802848-94-7.
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| Molecular Formula |
C20H15F4N3O2
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|---|---|
| Molecular Weight |
405.35
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| Exact Mass |
405.11
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| CAS # |
1802848-94-7
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| PubChem CID |
118273623
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| Appearance |
White to light yellow solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
29
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| Complexity |
591
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C1N=CC(C(F)(F)F)=CC=1)C1C=CC2=C(C=1)C=CC(C(N1C[C@@H](CC1)F)=O)=N2
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| InChi Key |
FWLFRXVPNVBXGR-CQSZACIVSA-N
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| InChi Code |
InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1
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| Chemical Name |
[(3R)-3-fluoropyrrolidin-1-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone
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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 |
| 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 : ~166.67 mg/mL (~411.18 mM)
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| 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) 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 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. View More
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. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4670 mL | 12.3350 mL | 24.6700 mL | |
| 5 mM | 0.4934 mL | 2.4670 mL | 4.9340 mL | |
| 10 mM | 0.2467 mL | 1.2335 mL | 2.4670 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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