| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
Nequinate's primary mechanism of action is believed to involve ionophore activity—the ability to transport ions across cell membranes. Ionophores can disrupt ionic gradients, particularly those of monovalent and divalent cations such as K⁺, Na⁺, and Ca²⁺, leading to alterations in cellular signaling, membrane potential, and metabolic processes. The quinoline-4-one core structure of Nequinate is reminiscent of other ionophoric compounds that form stable complexes with metal ions and facilitate their translocation across lipid bilayers. The compound may also interact with other molecular targets, but specific receptor or enzyme targets have not been definitively identified. Nequinate is not a conventional drug targeting a specific protein but rather a bioactive molecule with ionophoric properties. Further studies are needed to elucidate its precise molecular targets and mechanism of action.
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| ln Vitro |
For lowering serum uric acid (sUA) levels, Xanthine Oxidase (XOD) is a reliable and secure pharmacological target. It has a significant impact on purine catabolism. 12.0% less XOD activity is inhibited by equinate [2].
In vitro activity data for Nequinate are limited. As an ionophore, the compound is expected to modulate ion transport in cell-based systems, affecting processes such as cellular calcium homeostasis, mitochondrial function, and membrane potential. Ionophores typically exhibit activity in the micromolar range in cell-based assays. Nequinate may also affect bacterial or fungal growth due to its ability to disrupt ion gradients in microbial cells. However, specific in vitro potency data (e.g., IC₅₀ values) for Nequinate are not available in the published literature. The compound's quinoline structure suggests potential interactions with nucleic acids or enzymes, but these activities have not been experimentally validated. Further in vitro studies are needed to characterize the biological activity of Nequinate. The compound is recognized as a bioactive molecule in databases such as DrugBank and KEGG. |
| ln Vivo |
In vivo activity data for Nequinate are limited. The compound is listed in DrugBank and KEGG, indicating some level of biological relevance, but specific in vivo efficacy data have not been published. As an ionophore, Nequinate may affect systemic ion balance, cardiovascular function, or metabolic processes in animal models. Ionophores are known to have diverse in vivo effects depending on their ion selectivity and tissue distribution. However, no specific in vivo studies for Nequinate have been identified in the literature. The compound has been used as an analytical standard for forensics and toxicology, suggesting that it may be detected in biological samples. Further preclinical studies would be required to evaluate its in vivo pharmacokinetics, efficacy, and safety.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Nequinate are not well-established due to the limited characterization of its molecular targets. As an ionophore, the compound's activity is typically assessed using membrane-based assays rather than conventional enzyme inhibition assays. A typical ionophore activity assay: liposomes or artificial membranes are prepared with ion-selective fluorescent dyes (e.g., calcium-sensitive dyes such as Fluo-4 or Fura-2). Nequinate is added at concentrations ranging from 0.1 to 100 μM, and changes in fluorescence are monitored to assess ion transport across the membrane. Alternatively, the compound's ability to form ion complexes can be assessed using isothermal titration calorimetry or mass spectrometry. For receptor binding studies, if any specific receptor has been identified, standard radioligand binding assays would be performed. However, no such assays have been published for Nequinate. The compound is primarily used as a reference standard for analytical purposes.
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| Cell Assay |
In vitro cell-based assays for Nequinate would typically assess its effects on cell viability, ion homeostasis, and cellular signaling. A typical protocol: cells (e.g., HEK293, HeLa, or primary neurons) are seeded in 96-well plates at 10,000-20,000 cells/well and allowed to adhere overnight. Cells are treated with Nequinate at concentrations ranging from 0.1 to 100 μM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Intracellular calcium levels are measured using Fluo-4 or Fura-2 AM loading followed by fluorescence microscopy or flow cytometry. Mitochondrial membrane potential is assessed using JC-1 or TMRM staining. ROS levels are measured using DCFH-DA or MitoSOX. Each condition is tested in triplicate, and experiments are repeated at least three times. Positive controls include known ionophores such as ionomycin or valinomycin. However, specific data for Nequinate in these assays have not been published.
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| Animal Protocol |
In vivo animal studies for Nequinate have not been reported in the published literature. If conducted, a typical protocol for evaluating an ionophore compound would involve administering Nequinate to rodents via oral gavage, intraperitoneal, or intravenous injection at doses determined by preliminary toxicity studies. Endpoints would depend on the hypothesized biological activity: for ion homeostasis studies, serum electrolyte levels would be measured; for metabolic effects, glucose and lipid profiles would be assessed. Tissue distribution and accumulation would be evaluated by LC-MS/MS. However, as Nequinate is primarily used as an analytical standard, no in vivo efficacy or safety studies have been published. The compound has not progressed to preclinical or clinical development. Further studies would be required to evaluate its in vivo biological activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Nequinate have not been characterized in published literature. The compound has a molecular weight of 365.42 g/mol and is soluble in DMSO, suggesting moderate lipophilicity. Its plasma half-life, volume of distribution, protein binding, oral bioavailability, and clearance remain unknown. The compound is recognized in DrugBank and KEGG, indicating some level of pharmacological interest, but detailed pharmacokinetic data are not available. Nequinate has been used as an analytical standard in forensics and toxicology, suggesting that analytical methods (e.g., HPLC, GC-MS) are available for its detection in biological samples. Further pharmacokinetic studies would be needed to characterize its absorption, distribution, metabolism, and excretion.
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| Toxicity/Toxicokinetics |
Toxicological data for Nequinate are not available in published literature. As a research-grade compound and analytical standard, it has not undergone formal toxicology testing. Standard laboratory safety precautions should be followed when handling Nequinate: use of personal protective equipment (gloves, safety goggles, lab coat) and handling in a well-ventilated fume hood. The compound should be stored as recommended by the supplier. No genotoxicity, carcinogenicity, or reproductive toxicity data are available. Researchers should consult the safety data sheet (SDS) before handling. The compound is not classified as a hazardous drug but should be treated with care due to its ionophoric properties, which may affect ion balance in biological systems.
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| References |
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| Additional Infomation |
Nequinate belongs to the quinoline class of compounds. It is an anticoccidial drug used in poultry and rabbits. Nequinate belongs to the class of hydrogenated quinolones. These compounds contain hydrogenated quinolines and have a ketone group.
Additional information for Nequinate: The compound has a CAS number of 13997-19-8. Its molecular formula is C₂₂H₂₃NO₄ and molecular weight is 365.42 g/mol. The IUPAC name is methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate. Synonyms include Statil. The compound is a member of the ionophore family. It is listed in DrugBank (DB11433) and KEGG (D05144). It is used as an analytical standard in forensics and toxicology. The compound is for research use only and is not approved for clinical applications. No FDA approvals or investigational new drug applications exist. Its mechanism of action is hypothesized to involve ion transport across membranes, but this has not been experimentally validated. |
| Molecular Formula |
C22H23NO4
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|---|---|
| Molecular Weight |
365.4223
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| Exact Mass |
365.162
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| CAS # |
13997-19-8
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| PubChem CID |
26383
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
520.7±50.0 °C at 760 mmHg
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| Melting Point |
287.5ºC
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| Flash Point |
268.7±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.579
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| LogP |
6.01
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
27
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| Complexity |
553
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])C1=C([H])C2=C(C(C(C(=O)OC([H])([H])[H])=C([H])N2[H])=O)C([H])=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
NNOPDLNHPOLRRE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
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| Chemical Name |
methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7366 mL | 13.6829 mL | 27.3658 mL | |
| 5 mM | 0.5473 mL | 2.7366 mL | 5.4732 mL | |
| 10 mM | 0.2737 mL | 1.3683 mL | 2.7366 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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