| Size | Price | Stock | Qty |
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| 1mg |
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| 100mg | |||
| Other Sizes |
| ln Vitro |
With an IC50 value of 85.60 μg/mL, spathulenol demonstrates notable DPPH free radical activity in addition to high antioxidant activity in DPPH and MDA systems[1].
Spathulenol exhibited antioxidant activity in the DPPH radical scavenging assay with an IC50 value of 85.60 μg/mL (95% confidence limit: 82.43 – 89.38 μg/mL). In the ABTS radical scavenging assay, spathulenol showed an IC50 value of 639.25 μg/mL (95% confidence limit: 632.33 – 644.68 μg/mL). In the MDA (malondialdehyde) lipid peroxidation assay using rat brain homogenate, spathulenol demonstrated an IC50 value of 26.13 μg/mL (95% confidence limit: 24.30 – 28.68 μg/mL). Spathulenol showed moderate antiproliferative activity against the OVCAR-3 (ovarian cancer) cell line with a GI50 value of 49.30 μg/mL; it did not demonstrate cytostatic activity. In the antimycobacterial assay against Mycobacterium tuberculosis H37Rv, spathulenol showed a MIC value of 231.9 μg/mL (lowest concentration resulting in 90% growth inhibition). [1] |
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| ln Vivo |
The Cg-induced mouse paw edema and pleurisy model is significantly inhibited by oral spathulenol (300 mg/kg) [1]. Thus, PG-1 helps reduce the production of MDA, a toxic product produced by lipid peroxidative degradation of cell membranes, which can lead to cell rupture and mutation [1]. In a rat brain homogenate model of spontaneous lipid peroxidation, PG-1 showed high activity with an IC50 value of 26.13 μg/mL when incubated under controlled temperature and oxygenation conditions, respectively, compared with the commercial antioxidant BHT (38.41 μg/mL) is equivalent.
In a carrageenan-induced pleurisy model in mice, oral administration of spathulenol at 100 mg/kg significantly reduced the increase in total leukocytes (inhibition of 75.20 ± 1%) and reduced the rise in protein extravasation (inhibition of 82.00 ± 2%) in the pleural cavity 4 hours after carrageenan injection. [1] |
| Cell Assay |
The antiproliferative activity of spathulenol was evaluated using the sulforhodamine B (SRB) method. Human cell lines (including U251, MCF-7, NCI-ADR/RES, 786-0, NCI-H460, PCO-3, OVCAR-3, HT-29, K-562, and HaCaT) were grown in RPMI 1640 medium supplemented with 5% fetal bovine serum. Cells were placed in 96-well plates (100 μL/well) and exposed to different concentrations of spathulenol (0.25 – 250 μg/mL in DMSO) at 37°C with 5% CO2 for 48 hours. Doxorubicin was used as a positive control. Cellular protein content was then quantified spectrophotometrically.
The antimycobacterial activity of spathulenol was determined using the REMA (Resazurin Microtiter Assay) method. Mycobacterium tuberculosis H37Rv was grown in Middlebrook 7H9 broth supplemented with OADC enrichment. Stock solutions of spathulenol were diluted in DMSO to obtain final concentrations in the range of 0.98 – 250 μg/mL. Bacterial suspension (5×10^5 CFU/mL) was added to 96-well plates and incubated for 7 days at 37°C. Resazurin was then added to test viability, and plates were analyzed for color change and fluorescence. Rifampicin and isoniazid were used as positive controls. [1] |
| Animal Protocol |
For the carrageenan-induced pleurisy model, female Swiss mice (50 days old, 20–30 g) were treated orally with spathulenol at 100 mg/kg in saline solution (vehicle). A separate group (positive control) was treated subcutaneously with dexamethasone at 0.5 mg/kg. After 1 hour, pleurisy was induced by intrathoracic injection of 100 μL of 1% carrageenan solution. A naive control group received an equal volume of sterile saline. After 4 hours, animals were euthanized with isoflurane (1.5%), and the thoracic cavity was washed with 1 mL of phosphate-buffered saline (PBS). The pleural exudate was collected to measure exudate volume, leukocyte counts (using Turk's solution in a Neubauer chamber), and protein concentration (by Bradford method). [1]
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| References | |
| Additional Infomation |
Spathulenol is a tricyclic sesquiterpene compound with the chemical formula 4-methylenedecahydro-1H-cyclopropano[e]azine, containing three methyl substituents at positions 1, 1, and 7, and one hydroxyl substituent at position 7. It is a volatile oil component, plant metabolite, anesthetic, and vasodilator. It belongs to the sesquiterpenoid class, C3-tricyclic compound, tertiary alcohol, and olefin class. Spathulenol has been reported in Salvia coccinea, Guarea kunthiana, and other organisms with relevant data. See also: Chamomile (partial).
Spathulenol is a sesquiterpenic alcohol derived from the allo-aromadendrene skeleton. It is the dominant constituent (80.71%) of the essential oil of Psidium guineense leaves collected in Dourados-MS, Brazil. The proposed biosynthetic route involves cyclization of trans-farnesyl pyrophosphate to form an allo-aromadendrene type skeleton. Spathulenol has been reported as a major volatile component in several Myrtaceae species. This study supports the ethnopharmacological use of Psidium guineense leaves for treating inflammation, attributing part of the therapeutic effect to spathulenol. [1] |
| Molecular Formula |
C15H24O
|
|---|---|
| Molecular Weight |
220.3505
|
| Exact Mass |
220.182
|
| CAS # |
6750-60-3
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| PubChem CID |
92231
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
297.0±19.0 °C at 760 mmHg
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| Flash Point |
123.9±13.7 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.528
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| LogP |
4.45
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
|
| Heavy Atom Count |
16
|
| Complexity |
343
|
| Defined Atom Stereocenter Count |
5
|
| SMILES |
O([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])C(=C([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])[C@@]21[H]
|
| InChi Key |
FRMCCTDTYSRUBE-BGPZULBFSA-N
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| InChi Code |
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1
|
| Chemical Name |
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~453.82 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.35 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 (11.35 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 (11.35 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 | 4.5382 mL | 22.6912 mL | 45.3823 mL | |
| 5 mM | 0.9076 mL | 4.5382 mL | 9.0765 mL | |
| 10 mM | 0.4538 mL | 2.2691 mL | 4.5382 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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