| Size | Price | Stock | Qty |
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| ln Vitro |
In antioxidant assays using DPPH, ABTS, NO, and peroxynitrite (ONOO-) radical scavenging methods, nodakenetin showed negligible or no activity at the tested concentrations: DPPH IC50 > 800 μg/mL, ABTS IC50 > 100 μg/mL, NO scavenging IC50 > 500 μg/mL, and ONOO- scavenging IC50 > 50 μg/mL [1].
In the anti-inflammatory assay using LPS-stimulated RAW 264.7 macrophages, nodakenetin exerted a weak suppressive effect on nitric oxide (NO) production, with 20.72% inhibition at a concentration of 125 μg/mL, and no cytotoxicity was observed up to 125 μg/mL as determined by MTT assay [1]. In the brine shrimp lethality bioassay (a cytotoxicity test), nodakenetin exhibited an LC50 value of 249.289 μg/mL (with S.D. 0.127, chi-square 3.333, upper confidence limit 784.321, lower confidence limit 129.387) against Artemia salina nauplii, indicating moderate cytotoxic potential compared to colchicine (LC50 28.297 μg/mL) [2]. |
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| Cell Assay |
RAW 264.7 mouse macrophage cell line: Cells were seeded in 96-well plates at 2×10⁵ cells/well, pre-incubated for 2 hours, then treated with nodakenetin (dissolved in DMSO and diluted with serum-free DMEM to a final DMSO concentration of 0.1%) together with lipopolysaccharide (LPS, 1 μg/mL) and incubated for 18 hours. Nitric oxide production was measured by the Griess reagent, and the optical density was determined at 540 nm. Cell viability was assessed by MTT assay: after 24-hour treatment with various concentrations of test samples, MTT (0.5 mg/mL in PBS) was added, and the resulting color was assayed at 540 nm using a microplate reader. Nodakenetin showed 20.72% inhibition of NO production at 125 μg/mL without affecting cell viability [1].
Brine shrimp lethality assay: Mature nauplii of Artemia salina were used. Nodakenetin was dissolved in methanol to prepare stock solutions, and various volumes (200, 100, 50, 40, 30, 20, 10, 5, 2.5, 1.25, 0.625 μL corresponding to 400, 200, 100, 80, 60, 40, 20, 10, 5, 2.5, 1.25 μg) were transferred to vials in triplicate. After methanol evaporation, 2 mL of sea salt solution was added, then 10 brine shrimps per vial (30 per dilution) were transferred. The volume was adjusted to 5 mL with sea salt solution. After 24 hours, dead and alive brine shrimps were counted. Colchicine was used as positive control. Nodakenetin showed LC50 = 249.289 μg/mL [2]. |
| Animal Protocol |
Mouse ear irritant test: Ten milligrams of nodakenetin was dissolved in 5 mL of acetone to prepare 10 mg/5 mL (w/v) solution, then serially diluted to ten concentrations. Albino mice (15-20 g) in groups of 12 per dilution were used. Five microliters of the test solution was applied to the inner surface of one mouse ear using a microcapillary. The ears were examined for redness (erythema) after 30 minutes and then at 15-minute intervals until no further redness was observed. The time of maximum erythema was noted. The number of ears showing at least ++ intensity on Hecker's scale at peak irritancy was recorded. Animals were also examined at 24, 48, and 72 hours for chronic irritant effects. The total number of red ears per dilution was tabulated, and ID50 (irritant dose in 50% individuals) was calculated by probit analysis using a computer program. Euphorbium (a resin from Euphorbia helioscopia) was used as positive control [2].
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| Toxicity/Toxicokinetics |
Irritant activity on mouse ears: Nodakenetin exhibited irritant effects with an ID50 value of 0.937 μg/5 μl per ear (standard deviation 0.211, chi-square 2.707, upper confidence limit 2.762, lower confidence limit 0.482). The time to maximum irritant reaction (t) was 4 hours. After 24 hours, the irritant units (IU) were 1.25; after 48 hours, IU = 1.25; after 72 hours, IU = 0 (no reaction). The irritant reaction appeared as erythema (red patch), scale formation, and oedema, but no exudation or hyperpigmentation was observed at the tested doses [2].
Cytotoxicity on brine shrimp: Nodakenetin showed an LC50 of 249.289 μg/mL (95% confidence limits: upper 784.321, lower 129.387) in the brine shrimp lethality bioassay, indicating lower cytotoxicity compared to colchicine (LC50 28.297 μg/mL) [2]. In RAW 264.7 cells, nodakenetin showed no cytotoxicity up to 125 μg/mL as determined by MTT assay [1]. |
| References | |
| Additional Infomation |
Nodakenetin is a marmexin with the R configuration. It is a plant metabolite, a rat metabolite, and an exogenous metabolite. It is the enantiomer of (+)-marmexin. Nodakenetin has been reported to exist in Angelica sinensis, Resveratrol macrocarpa, and other organisms with relevant data.
Nodakenetin (also known as nodakenitin) is an aglycone of nodakenin, a coumarin glycoside. In Angelica decursiva, nodakenetin was isolated from the ethyl acetate fraction along with nodakenin, umbelliferone, umbelliferone-6-carboxylic acid, and vanillic acid. This compound was found to be inactive in most antioxidant assays (DPPH, ABTS, NO, ONOO-) and showed only weak anti-inflammatory activity in LPS-stimulated macrophages [1]. In Angelica glauca roots, nodakenetin was one of six coumarins isolated from the n-butanol fraction. Its structure was confirmed by EI-MS, IR, and NMR spectroscopy. The compound demonstrated irritant effects on mouse skin and moderate cytotoxicity against brine shrimp larvae, but was less potent than decursinol angelate and decursin in both assays [2]. |
| Molecular Formula |
C14H14O4
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|---|---|
| Molecular Weight |
246.2586
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| Exact Mass |
246.089
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| CAS # |
495-32-9
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| PubChem CID |
26305
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| Appearance |
White to off-white solid
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
434.0±45.0 °C at 760 mmHg
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| Flash Point |
168.0±22.2 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.611
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| LogP |
1.69
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
18
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| Complexity |
387
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O1C2C([H])=C3C(C([H])=C([H])C(=O)O3)=C([H])C=2C([H])([H])[C@]1([H])C(C([H])([H])[H])(C([H])([H])[H])O[H]
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| InChi Key |
FWYSBEAFFPBAQU-GFCCVEGCSA-N
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| InChi Code |
InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
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| Chemical Name |
(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
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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 : ~100 mg/mL (~406.07 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.15 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 25.0 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: ≥ 2.5 mg/mL (10.15 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 25.0 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: ≥ 2.5 mg/mL (10.15 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 | 4.0607 mL | 20.3037 mL | 40.6075 mL | |
| 5 mM | 0.8121 mL | 4.0607 mL | 8.1215 mL | |
| 10 mM | 0.4061 mL | 2.0304 mL | 4.0607 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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