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| Targets |
Fluroxypyr-meptyl is a pro-herbicide that, after predominantly foliar uptake, is hydrolyzed to the parent acid fluroxypyr, which is the herbicidally active form. Fluroxypyr is a synthetic auxin that mimics the plant hormone auxin, causing uncontrolled growth in susceptible broadleaf weeds. As a pyridine-based herbicide, it is used to control established broadleaf weeds and woody brush. The compound does not have a defined biological target in mammalian systems.
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| ln Vitro |
Fluroxypyr-meptyl itself does not exhibit pharmacological activity in vitro. Its herbicidal activity is due to its conversion to fluroxypyr, which acts as a synthetic auxin in plants. In susceptible plants, it causes typical hormone-type herbicide reactions, including plant distortion and twisting. The compound's meptyl ester form enhances its lipophilicity, improving absorption and translocation within the plant. The compound is valued for its effectiveness, crop safety, and compatibility with other herbicides.
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| ln Vivo |
Fluroxypyr-meptyl does not exhibit pharmacological activity in mammalian systems in vivo. It is used as a herbicide in agricultural settings to control broadleaf weeds in crops such as corn, wheat, barley, oats, sorghum, forage, hay, onions, and industrial sites. The compound is a pro-herbicide that is hydrolyzed to the active fluroxypyr after plant uptake. No in vivo therapeutic activity has been reported for this compound.
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| Enzyme Assay |
In vitro assays for fluroxypyr-meptyl are not standard, as it is a herbicide rather than a biologically active test compound. Standard characterization includes nuclear magnetic resonance (¹H NMR, ¹³C NMR) and mass spectrometry to confirm structure and purity. For herbicidal activity testing, the compound is applied to susceptible plants, and effects on growth and morphology are assessed. Quality control includes HPLC purity analysis.
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| Cell Assay |
Cell-based experiments are not performed with fluroxypyr-meptyl, as it is a herbicide rather than a test compound for biological activity in mammalian systems. The compound is used exclusively in agricultural and environmental research. No cytotoxicity or cell viability studies are conducted with this compound as it is not intended for biological applications in mammals.
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| Animal Protocol |
In vivo animal studies with fluroxypyr-meptyl are limited to toxicological evaluations for regulatory purposes. Standard protocols for oral or dermal toxicity testing in rodents follow OECD guidelines. The compound is administered by gavage or applied to skin, and animals are monitored for clinical signs, body weight changes, and mortality. Histopathological examination of major organs is performed at study termination. The compound is not used in efficacy studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of fluroxypyr-meptyl are characterized as a pro-herbicide. After foliar uptake, the ester is hydrolyzed to the parent acid fluroxypyr, which is the herbicidally active form. In mammals, the compound would be expected to be metabolized and excreted. However, formal pharmacokinetic studies are limited as the compound is not intended for human exposure.
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| Toxicity/Toxicokinetics |
Fluroxypyr-meptyl is a skin and eye irritant. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood. The compound should be stored in a cool, dry place away from sources of ignition. No acute toxicity data are available for human exposure. The compound is not intended for drug, household, or other uses.
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| References |
[1]. Wang L, et, al. Dissipation and residues of fluroxypyr-meptyl in rice and environment. Bull Environ Contam Toxicol. 2011 Apr;86(4):449-53.
[2]. Hewitt PG, et, al. Metabolism of fluroxypyr, fluroxypyr methyl ester, and the herbicide fluroxypyr methylheptyl ester. II: in rat skin homogenates. Drug Metab Dispos. 2000 Jul;28(7):755-9. |
| Additional Infomation |
Fluroxyfen-methyl is the esterified form of the herbicide fluroxyfen (it is a pro-herbicide, similar to a prodrug). This ester is primarily absorbed through the leaves and then hydrolyzed to the parent acid, which is the herbicide-active form. Fluroxyfen is a pyridine herbicide used to control established broadleaf weeds and shrubs. It is registered for use on corn, wheat, barley, oats, sorghum, pasture, hay, onions, fallow land, industrial land, and roadside land, as well as home lawns and recreational areas such as golf courses, parks, and sports fields.
See also: Fluroxyfen (note moved to). Fluroxypyr-meptyl is a systemic post-emergence herbicide belonging to the pyridinecarboxylic acid chemical class and classified as a synthetic auxin (HRAC/WSSA Group 4). It is a pro-herbicide that is hydrolyzed to fluroxypyr after plant uptake. The compound is valued for its effectiveness, crop safety, and compatibility with other herbicides. It has not undergone clinical trials and is not approved as a pharmaceutical. |
| Molecular Formula |
C15H21CL2FN2O3
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|---|---|
| Molecular Weight |
367.24
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| Exact Mass |
366.091
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| CAS # |
81406-37-3
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| PubChem CID |
54745
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
431.9±40.0 °C at 760 mmHg
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| Melting Point |
56-57ºC
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| Flash Point |
215.0±27.3 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.523
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| LogP |
6.77
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
23
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| Complexity |
366
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(COC1C(Cl)=C(N)C(Cl)=C(F)N=1)OC(CCCCCC)C
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| InChi Key |
OLZQTUCTGLHFTQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
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| Chemical Name |
octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate
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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 (272.30 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.81 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (6.81 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (6.81 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 | 2.7230 mL | 13.6151 mL | 27.2301 mL | |
| 5 mM | 0.5446 mL | 2.7230 mL | 5.4460 mL | |
| 10 mM | 0.2723 mL | 1.3615 mL | 2.7230 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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