| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Target: Not established (bioactive natural product). Scopoline is a tropane alkaloid that is formed from scopine, its epimer. The specific protein targets of Scopoline have not been identified in the literature. It is known to have fungitoxic effects, suggesting antifungal activity, but the molecular mechanism is not characterized. It is primarily used as a reference compound and analytical standard in natural product chemistry.
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|---|---|
| ln Vitro |
In vitro, Scopoline has been reported to have fungitoxic effects against certain fungal species. No specific IC50 or EC50 values have been reported. As an alkaloid from Datura species, it may have weak anticholinergic or CNS activity, but detailed pharmacological characterization is lacking. No cell-based studies have been published. No in vitro activity data are available.
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| ln Vivo |
No in vivo efficacy data have been published for Scopoline. As a natural product, it may have been studied in traditional medicine contexts, but modern pharmacological studies have not been reported. No animal studies are available.
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| Enzyme Assay |
No cell-free assays have been reported for Scopoline. As a research compound, it is typically used as a reference standard in analytical chemistry, not as a pharmacological probe in enzyme or receptor binding assays. Its identity is confirmed by NMR and HPLC-MS, but no specific biological assays have been standardized.
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| Cell Assay |
No cell-based assays have been performed with Scopoline in modern pharmacological research. The compound may be used as a negative control or reference standard in natural product studies, but no cell culture protocols have been published.
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| Animal Protocol |
No animal studies have been conducted with Scopoline. The compound is for research use only and is not intended for in vivo administration. No animal efficacy or safety studies have been reported.
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| ADME/Pharmacokinetics |
PK properties of Scopoline have not been reported. As a tropane alkaloid (MW 155.19, LogP ∼0.5), it is expected to be water-soluble and may be absorbed via passive diffusion. It may cross the blood-brain barrier due to the tropane scaffold (similar to scopolamine). However, no formal PK studies have been performed. The compound is for research use only and not for human administration.
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for Scopoline. As a naturally occurring alkaloid, it may have toxicity at high doses, but no LD50 or acute toxicity studies have been published. The compound is for research use only and is not intended for human consumption. It should be handled with appropriate safety precautions (gloves, goggles, lab coat). Non-hazardous for transport under normal laboratory conditions.
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| References | |
| Additional Infomation |
Scopoline is a research compound and not an approved drug. It is not FDA-approved for clinical use. It is used as an analytical reference standard in natural product chemistry, alkaloid profiling, and metabolomics studies. It may be used in quality control for herbal extracts containing Datura species or other tropane alkaloids. It is also used as a precursor in organic synthesis for the preparation of other tropane derivatives.
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| Molecular Formula |
C8H13NO2
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|---|---|
| Molecular Weight |
155.1943
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| Exact Mass |
155.095
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| CAS # |
487-27-4
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| PubChem CID |
261184
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| Appearance |
White to off-white solid powder
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| Density |
1.284 g/cm3
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| Boiling Point |
248ºCat 760 mmHg
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| Melting Point |
107-109ºC
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| Flash Point |
111.6ºC
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| Vapour Pressure |
0.00403mmHg at 25°C
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| Index of Refraction |
1.573
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| Source |
Originated from plants
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| LogP |
-0.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
197
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O[C@@H]([C@@H]1C2)[C@](O[C@@H]2C3)([H])[C@]3([H])N1C
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| InChi Key |
MEGPURSNXMUDAE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3
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| Chemical Name |
6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-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 (~644.4 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.11 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (16.11 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4437 mL | 32.2186 mL | 64.4371 mL | |
| 5 mM | 1.2887 mL | 6.4437 mL | 12.8874 mL | |
| 10 mM | 0.6444 mL | 3.2219 mL | 6.4437 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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