| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
The specific molecular targets of Notoptol have not been extensively characterized in the published literature. As a coumarin derivative, it may possess intrinsic biological properties, including potential anti-inflammatory, antioxidant, or antimicrobial activities, which are common to many natural coumarins. However, the primary use of this compound is as a reference standard for analytical chemistry and natural product research, rather than as a tool for studying a specific pharmacological target.
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| ln Vitro |
There are no published cell-free biochemical assays that use Notoptol as an inhibitor or activator, as its primary research role is as a reference standard. However, if one were to perform a standard coumarin-based assay, it might involve testing its antioxidant capacity via DPPH radical scavenging or its ability to inhibit lipoxygenase. Its chemical structure (C21H22O5) includes a lactone ring characteristic of coumarins, which is known to interact with various enzymes in a structure-dependent manner, but specific data for Notoptol is lacking.
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| ln Vivo |
Notoptol is typically not used in cell-based assays for drug discovery, as it is a reference standard. However, if investigated, coumarin derivatives can show cytotoxicity against cancer cell lines or effects on inflammatory cytokine production in immune cells. For Notoptol specifically, no such cellular IC50 or EC50 values have been reported in the primary scientific literature. Its use is confined to the analysis and quantification of Notopterygium-derived compounds in various matrices.
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| Enzyme Assay |
As a reference standard, Notoptol is not used in typical cell-free activity assays. Instead, it is used for method development and validation. A standard solution of Notoptol is prepared at a known concentration (e.g., 1 mg/mL in methanol or DMSO). This solution is then diluted to make a calibration curve (e.g., 0.5-100 ug/mL). The UV absorbance of the standard is measured using a UV-Vis spectrophotometer to determine its molar absorptivity. Alternatively, in an HPLC-UV or LC-MS method, the standard is injected, and the retention time and peak area are determined. This information is then used to identify and quantify Notoptol in a sample containing a complex plant extract. The compound is not used for receptor binding or enzyme inhibition studies.
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| Cell Assay |
Notoptol is not intended for use in cell culture experiments, as its primary role is analytical. If used in a biological study, it would be dissolved in DMSO (at concentrations <0.1% final DMSO) and added to cells such as macrophages or cancer cell lines. The cells might be incubated for 24-72 hours, and endpoints such as cell viability (MTT assay), nitric oxide production (Griess assay), or inflammatory cytokine secretion (ELISA) would be measured. However, no published data on the cellular activity of Notoptol are available. For analytical purposes, the cell model is not applicable.
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| Animal Protocol |
Notoptol is not used in animal studies for evaluating pharmacological activity. As a reference standard, it is used in the preparation of quality control samples for pharmacokinetic (PK) studies of natural products. For example, an animal may be dosed with an extract of Notopterygium, and blood or tissue samples are collected. A calibration curve prepared using Notoptol as an external or internal standard is then used to quantify the concentration of its parent compound or related metabolites in these biological samples by LC-MS/MS. The compound itself is not administered to animals as a test substance.
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| ADME/Pharmacokinetics |
Notoptol is not a drug, and its pharmacokinetic properties have not been studied. As a reference standard, it is important that it is stable and pure. The compound is typically stored as a powder at -20degC and is stable for at least 3 years. It is soluble in organic solvents such as methanol, ethanol, acetonitrile, and DMSO, but it has limited solubility in water. For LC-MS/MS analysis, its retention time, fragmentation pattern, and ionization efficiency (in ESI+ mode) would be documented. Its molecular weight is 354.4 g/mol. The hydrogen-deuterium exchange mass spectrometry (HDX-MS) can be used to study its structure, but it is not a compound used for PK studies in vivo.
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| Toxicity/Toxicokinetics |
Notoptol is a natural product and is generally regarded as a research chemical with low toxicity, as it is not intended for in vivo use. The toxicological profile has not been formally assessed. Based on its structural class, it may be an irritant. Standard laboratory safety practices should be followed: avoid inhalation, ingestion, and skin contact. It is not intended for human or veterinary use and is provided for research use only. For disposal, follow institutional guidelines for the disposal of chemical waste.
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| References | |
| Additional Infomation |
Reports indicate that Notoptol has been found in Hansenia forbesii, Hansenia weberbaueriana, and Tetradium daniellii, and relevant data are available for reference.
Notoptol (CAS 88206-49-9) is a coumarin compound used as a natural product reference standard. It is a phytochemical marker for the genus Notopterygium and related species. In traditional Chinese medicine (TCM), plants of the Notopterygium genus are used as anti-inflammatory and analgesic agents. Notoptol is one of the chemical constituents that may contribute to these effects, though its own bioactivity is not well-defined. The compound is used for the standardization of herbal extracts in quality control (QC) laboratories. It is sold as a neat solid with a purity of >98% by HPLC. For research use, it can be used to study the metabolism of coumarins or as a positive control in HPLC analysis. The molecular weight is 354.4. |
| Molecular Formula |
C21H22O5
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|---|---|
| Molecular Weight |
354.39638
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| Exact Mass |
354.147
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| CAS # |
88206-49-9
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| PubChem CID |
5320228
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
4.581
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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 |
6
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| Heavy Atom Count |
26
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| Complexity |
604
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C2C=COC=2C=C2OC(C=CC=12)=O)C/C=C(\C)/C/C=C/C(O)(C)C
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| InChi Key |
WIEGIEBFVOUTDV-OVXNXNIRSA-N
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| InChi Code |
InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-15-6-7-19(22)26-18(15)13-17-16(20)9-12-24-17/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
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| Chemical Name |
4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[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) |
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 | 2.8217 mL | 14.1084 mL | 28.2167 mL | |
| 5 mM | 0.5643 mL | 2.8217 mL | 5.6433 mL | |
| 10 mM | 0.2822 mL | 1.4108 mL | 2.8217 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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