| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
(S,S)-Valifenalate targets the cell wall synthesis of Oomycete fungi. By disrupting the structural integrity of the cell wall, it effectively hinders the growth stages of fungal pathogens, both externally on spores and internally within plant mycelium. This interference with cell wall biosynthesis is the primary mechanism by which the fungicide exerts its selective action against Oomycetes, preventing the spread of fungal diseases.
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| ln Vitro |
In vitro, (S,S)-Valifenalate demonstrates potent antifungal activity by inhibiting the growth of various Oomycete pathogens. Its activity is assessed through mycelial growth inhibition assays, where the compound is incorporated into agar media to measure its effect on colony expansion. The compound's effectiveness against Oomycetes is a key characteristic, as it selectively targets these pathogens, making it a valuable tool for studying fungal cell wall synthesis and developing targeted crop protection strategies.
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| ln Vivo |
In vivo, (S,S)-Valifenalate is effective in preventing the spread of fungal diseases in crops susceptible to Oomycete pathogens. Its systemic properties allow it to protect the plant from fungal infection by interfering with cell wall synthesis. It is used in agricultural research and field applications to protect plants from diseases like late blight and downy mildew, ensuring higher yields and reduced chemical residues. Its selective action is beneficial for sustainable agriculture.
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| Enzyme Assay |
For non-cellular enzyme/receptor binding studies, (S,S)-Valifenalate's fungicidal activity is evaluated through biochemical assays that measure its impact on fungal cell wall synthesis. These assays often involve monitoring the incorporation of radiolabeled precursors into the cell wall or measuring the activity of key enzymes involved in cell wall biosynthesis. By demonstrating its ability to disrupt this essential process, the compound's mechanism of action can be confirmed at a molecular level.
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| Cell Assay |
For in vitro cellular experiments, fungal cultures (such as Oomycetes) are grown on appropriate media and treated with (S,S)-Valifenalate at various concentrations. The antifungal activity is assessed by measuring the inhibition of mycelial growth or spore germination, which is quantified to determine the minimum inhibitory concentration (MIC) or EC50 values. These experiments are crucial for characterizing the compound's potency and spectrum of activity against different fungal strains.
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| Animal Protocol |
For in vivo agricultural studies, (S,S)-Valifenalate is applied to crops as a foliar spray or soil drench at recommended rates. Its efficacy is evaluated in field trials by assessing disease severity on plants, particularly for diseases caused by Oomycetes. Crop yield and quality are also measured to determine the compound's effectiveness in protecting plants and ensuring higher yields. These studies are essential for validating its agricultural applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (S,S)-Valifenalate are not explicitly detailed in the provided sources. As a fungicide, its behavior in plants, such as uptake, translocation, and metabolism, is a key aspect of its efficacy. Its molecular weight of 398.88 suggests it is a small molecule capable of systemic movement within the plant. The compound's stability and residual activity are also important characteristics for its agricultural use.
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| Toxicity/Toxicokinetics |
The toxicity profile of (S,S)-Valifenalate is not extensively detailed in the provided literature. As an agricultural chemical, its safety for non-target organisms, including humans and the environment, is a critical consideration. It is classified as an acylamino acid fungicide and is considered to have selective action, which suggests a degree of safety. Standard safety precautions for handling pesticides should be followed when working with this compound.
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| References |
[1]. European Food Safety Authority; Modification of existing MRLs for valifenalate (valiphenal) in tomatoes and aubergines on request. EFSA Journal 2009; 7(11):1388.
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| Additional Infomation |
L-(S)-valine ester is methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valine]amino}propionate, which is formed by the condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3S)-3-amino-3-(4-chlorophenyl)propionate.
(S,S)-Valifenalate is a stereoisomeric acylamino acid fungicide with a molecular formula of C19H27ClN2O5. It targets the cell wall synthesis of Oomycete fungi, making it effective in preventing the spread of fungal diseases in crops. This research compound is used to develop sustainable agricultural practices and offers targeted protection for plants. It is intended for research use only and is not approved for human therapeutic applications. |
| Molecular Formula |
C19H27CLN2O5
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|---|---|
| Molecular Weight |
398.8811
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| Exact Mass |
398.16
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| CAS # |
283159-94-4
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| Related CAS # |
Valifenalate;283159-90-0
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| PubChem CID |
23377346
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
27
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| Complexity |
504
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C
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| InChi Key |
DBXFMOWZRXXBRN-RDJZCZTQSA-N
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| InChi Code |
InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15-,17-/m0/s1
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| Chemical Name |
methyl (3S)-3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
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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 (250.70 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.27 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 (6.27 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5070 mL | 12.5351 mL | 25.0702 mL | |
| 5 mM | 0.5014 mL | 2.5070 mL | 5.0140 mL | |
| 10 mM | 0.2507 mL | 1.2535 mL | 2.5070 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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