| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The primary targets of neocnidilide are mycotoxin-producing fungi and insect larvae. As a fungal inhibitor, it specifically targets mycotoxin-producing fungi to suppress their growth. The compound also has larvicidal activity against Drosophila melanogaster. The precise molecular targets and mechanisms of action require further elucidation.
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|---|---|
| ln Vitro |
In vitro studies have demonstrated the biological activities of neocnidilide. The compound inhibits the growth of mycotoxin-producing fungi. Neocnidilide also has larvicidal activity against D. melanogaster with an LC₅₀ value of 9.9 μmol/mL. These activities make neocnidilide a candidate for further investigation as a natural antifungal and insecticidal agent.
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| ln Vivo |
In vivo activity of neocnidilide has been studied in the context of its larvicidal effects. The compound shows activity against insect larvae, suggesting potential for pest control applications. Specific in vivo data for antifungal activity are limited. Further studies are needed to evaluate its efficacy in vivo for various applications.
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| Enzyme Assay |
For antifungal activity screening, standard agar dilution or broth microdilution methods are used. Mycotoxin-producing fungi are cultured on appropriate media and exposed to serial dilutions of neocnidilide. Mycelial growth inhibition is measured, and IC₅₀ or LC₅₀ values are calculated. For larvicidal activity, Drosophila melanogaster larvae are exposed to the compound in an appropriate medium.
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| Cell Assay |
For in vitro cell-based studies, fungal cells are cultured in appropriate media and treated with serial dilutions of neocnidilide. Fungal growth is assessed by measuring colony diameter or optical density. For larvicidal studies, insect larvae are maintained in appropriate conditions and exposed to the compound. Mortality is recorded at regular intervals.
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| Animal Protocol |
In vivo animal studies for neocnidilide are limited. The compound has been studied for its larvicidal activity, which may be relevant for pest control applications. Standard protocols for insecticidal efficacy studies can be adapted from the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of neocnidilide have not been extensively characterized. As a lipophilic compound with a molecular weight of 194.27 g/mol, it is expected to have reasonable membrane permeability. Specific PK parameters such as half-life, clearance, and bioavailability have not been reported. Further studies are needed.
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| Toxicity/Toxicokinetics |
Toxicological data for neocnidilide are limited. As a natural product, it may have a favorable safety profile, but systematic toxicological studies have not been published. Standard safety assessments would be needed for therapeutic or agricultural development.
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| References | |
| Additional Infomation |
Neonomidil is a γ-lactone. It has been reported that neonomidil exists in parsley (Petroselinum crispum) and celery (Apium graveolens), and relevant data are available for reference.
Neocnidilide is a research compound used in studies of allylphthalides and their biological activities. It is isolated from Rhizoma Ligustici Chuanxiong. The compound has been studied for its antifungal and larvicidal activities. No clinical trials or therapeutic applications have been reported. Neocnidilide serves as a research tool for studying natural product chemistry and biological activities. |
| Molecular Formula |
C12H18O2
|
|---|---|
| Molecular Weight |
194.27
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| Exact Mass |
194.131
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| CAS # |
4567-33-3
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| PubChem CID |
3083857
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.03g/cm3
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| Boiling Point |
342ºC at 760 mmHg
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| Flash Point |
142.1ºC
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| Index of Refraction |
1.499
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| LogP |
2.828
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
255
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
CCCCC1C2CCCC=C2C(=O)O1
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| InChi Key |
UPJFTVFLSIQQAV-KOLCDFICSA-N
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| InChi Code |
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
|
| Chemical Name |
(3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1475 mL | 25.7374 mL | 51.4748 mL | |
| 5 mM | 1.0295 mL | 5.1475 mL | 10.2950 mL | |
| 10 mM | 0.5147 mL | 2.5737 mL | 5.1475 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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