| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| Other Sizes |
| Targets |
IC50: 0.5 μM (acetyl coenzyme A carboxylase (EC 6.4.1.2))[2]
The primary target of Haloxyfop is acetyl-CoA carboxylase (ACCase, EC 6.4.1.2), an enzyme that catalyzes the formation of malonyl-CoA from acetyl-CoA, a critical step in fatty acid biosynthesis. Haloxyfop inhibits ACCase from corn seedling chloroplasts with an IC50 of 0.5 μM. Importantly, the compound has no effect on ACCase from pea, demonstrating selectivity for grass species over broadleaf plants. |
|---|---|
| ln Vitro |
In vitro, Haloxyfop inhibits acetyl-CoA carboxylase (ACCase) from corn seedling chloroplasts with an IC50 of 0.5 μM. The compound shows no inhibitory activity against ACCase from pea, indicating selective activity against grass species. This selectivity is the basis for the herbicide's utility in controlling grass weeds in broadleaf crops without harming the crop plants.
|
| ln Vivo |
In vivo, Haloxyfop is applied as a post-emergence herbicide for the control of a wide range of annual and perennial grass weeds in various agricultural settings. The compound is absorbed through the foliage and translocated to meristematic tissues, where it inhibits ACCase and disrupts fatty acid synthesis. This leads to the cessation of growth and eventual death of susceptible grass species.
|
| Enzyme Assay |
The in vitro enzyme assay for Haloxyfop involves measuring the inhibition of ACCase activity using enzyme preparations from susceptible grass species such as corn seedlings. The assay is performed in a suitable buffer system containing ATP, acetyl-CoA, and bicarbonate as substrates. Test compounds are incubated with the enzyme at various concentrations, and the formation of malonyl-CoA is measured using radiometric or spectrophotometric methods. IC50 values are calculated by fitting dose-response curves to the inhibition data.
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| Cell Assay |
Cellular assays for Haloxyfop typically use plant cell cultures or isolated chloroplasts from susceptible grass species. Cells or chloroplasts are treated with the test compound at various concentrations, and the inhibition of fatty acid synthesis is measured by assessing the incorporation of radiolabeled precursors into lipids. The compound's effects on cell growth and viability may also be assessed.
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| Animal Protocol |
In vivo animal studies for Haloxyfop are typically conducted as part of toxicological evaluations for herbicide registration. Studies involve oral or dermal administration of the compound to rodents, and endpoints include acute toxicity, sub-chronic toxicity, and carcinogenicity. The compound's environmental fate and effects on non-target organisms are also evaluated as part of the registration process.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Haloxyfop in mammals include absorption through the gastrointestinal tract following oral exposure, distribution to tissues, metabolism, and excretion in urine and feces. The compound has a molecular weight of 361.70 and is supplied as a solid. For research purposes, the compound is typically stored as a powder at -20°C (up to 3 years) or in solution at -80°C (up to 6 months).
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for Haloxyfop in the available literature beyond its classification as a herbicide. As a research chemical, the compound should be handled with standard safety precautions for agricultural chemicals. Toxicity studies, including acute and sub-chronic dosing in animal models, have been conducted as part of the herbicide registration process.
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| References |
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| Additional Infomation |
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propionic acid is a monocarboxylic acid, a derivative of 2-phenoxypropionic acid, in which the hydrogen at the para-position of the benzene ring is replaced by [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy. It belongs to the pyridine class of compounds, aromatic ethers, monocarboxylic acids, organofluorine compounds, and organochlorine compounds.
Haloxyfop is an aryloxyphenoxypropionic acid herbicide widely used for grass weed control in broad-leaf crops. The compound inhibits acetyl-CoA carboxylase (EC 6.4.1.2) from corn seedling chloroplasts with an IC50 of 0.5 μM but has no effect on this enzyme in pea. Haloxyfop has a molecular formula of C15H11ClF3NO4 and a molecular weight of 361.70. The compound is a selective, post-emergence herbicide. |
| Molecular Formula |
C15H11CLF3NO4
|
|---|---|
| Molecular Weight |
361.70
|
| Exact Mass |
361.032
|
| CAS # |
69806-34-4
|
| Related CAS # |
69806-86-6 (hydrochloride salt)
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| PubChem CID |
50895
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
420.3±45.0 °C at 760 mmHg
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| Flash Point |
208.0±28.7 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.536
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
24
|
| Complexity |
429
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
|
| InChi Key |
GOCUAJYOYBLQRH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)
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| Chemical Name |
2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
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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 (276.47 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.91 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 (6.91 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7647 mL | 13.8236 mL | 27.6472 mL | |
| 5 mM | 0.5529 mL | 2.7647 mL | 5.5294 mL | |
| 10 mM | 0.2765 mL | 1.3824 mL | 2.7647 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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