Clodinafop-propargyl targets acetyl-CoA carboxylase (ACCase), a key enzyme in fatty acid biosynthesis in plants. By inhibiting ACCase, the compound blocks the synthesis of fatty acids, which are essential for membrane formation and energy storage in plants. This leads to the death of susceptible grass weeds. Its targets are plant-specific enzymes rather than mammalian biological targets. The compound is used for post-emergence weed control in cereal crops.

In vitro studies of Clodinafop-propargyl have focused on its herbicidal activity and mechanism of action. The compound inhibits acetyl-CoA carboxylase (ACCase) in plant systems, blocking fatty acid biosynthesis. Its efficacy against various grass weed species has been characterized. These in vitro studies provide foundational data for understanding the compound's utility in agricultural weed management.

In vivo studies of Clodinafop-propargyl have demonstrated its efficacy as a post-emergence herbicide for controlling grass weeds in cereal crops such as wheat. The compound is absorbed through the foliage and translocated to growing points, where it inhibits ACCase and causes weed death. Its environmental fate and effects on non-target organisms have been studied. Clodinafop-propargyl is not a therapeutic agent and is intended for agricultural use only.

In vitro enzyme assays for Clodinafop-propargyl typically involve testing its inhibitory activity against ACCase. Enzyme activity is measured by monitoring fatty acid biosynthesis in the presence of varying concentrations of the compound. The compound's purity and identity are confirmed using analytical chemistry methods such as high-performance liquid chromatography and mass spectrometry. All assays are performed with appropriate controls.

In vitro cell-based assays for Clodinafop-propargyl involve culturing plant cells to evaluate its herbicidal effects. Plant cells are treated with varying concentrations of the compound and cell viability is assessed. The compound's effects on fatty acid biosynthesis are evaluated. All experiments are performed with appropriate controls to ensure statistical reliability.

In vivo plant experiments for Clodinafop-propargyl are conducted to evaluate its herbicidal efficacy. Plants are treated with the compound and weed control is assessed. Parameters assessed include weed mortality, plant growth inhibition, and crop safety. The compound's efficacy against various grass weed species is evaluated. Control groups receiving vehicle alone are included for comparison.

Absorption, Distribution and Excretion
Propylene acetate is rapidly absorbed in male animals, with at least 75% absorbed within 168 hours (based on radiolabeled samples recovered from urine, tissues, cage cleaning fluid, and residual carcass). Female animals show even higher oral absorption (≥92%). Excretion is also rapid, primarily via urine. After 168 hours, the total excretion rate in females (92-96%) is higher than in males (66-85%). The drug is widely distributed, with the highest concentrations in fat, muscle, liver, blood, and kidneys. Residual levels are higher in males than in females. The drug may accumulate in adipose tissue. Clearance from the ovaries, pancreas, thymus, and thyroid gland is slower.

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Metabolism / Metabolites
In animals, it hydrolyzes to form the corresponding acid, which is excreted in urine and feces. In plants, it rapidly degrades into the main metabolite—acid derivatives. In a rat metabolism study, two 14C-labeled propynyl derivatives of chlorpyrifos (one labeled on the 2-carbon of the pyridine ring, and the other uniformly labeled on the benzene ring, with a purity >98%) were administered by gavage to approximately 7-week-old male Tif:RAI f (SPF) rats at concentrations of 25.2 mg/kg ([2-14C]pyridyl) and 24.6 mg/kg ([U-14C]benzene ring), respectively. In urine, the main metabolite was identified as (R)-2-[4-(5-chloro-3-fluoro-2-pyridinoxy)-phenoxy]-propionic acid, reference material CGA-193469, representing 36.7% to 39.1% of the administered dose (AD). Metabolite component U3 was hydrolyzed upon treatment with NaOH or HCl to generate component U7 (i.e., CGA-193469). No altered propargyl was detected. In feces, the major metabolite (component F*7) corresponded to the urinary metabolite U7 (CGA 193469), accounting for 15.7% to 16.9% of AD. Metabolite component F*8 was identified as altered propargyl, accounting for 0.4% to 1.7% of AD. It has been reported that all metabolites in adipose tissue are acylglycerols, the majority of which are mixed diacylglycerols and triacylglycerols (approximately 3.5% and 17.0% of total metabolites, respectively). Prolynyl clonidine was extensively metabolized (residual proplynyl clonidine was less than 0.3%). The major metabolite in excrement was clonidine (CGA 193469) and its taurine conjugate. The metabolites in adipose tissue are diacylglycerols and triacylglycerols of clonidine.

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The pharmacokinetic properties of Clodinafop-propargyl reflect its nature as a herbicide. It has a molecular weight of 349.74 and the molecular formula C17H13ClFNO4. As a small lipophilic molecule, it is absorbed through plant foliage and translocated to growing points. The compound is metabolized through standard xenobiotic pathways in plants. Complete pharmacokinetic profiling in plants would require further systematic studies.

Non-Human Toxicity Values
Rat dermal LD50 >2000 mg/kg
Rat inhalation LC50 2.325 mg/L air/4 hours
Male rat oral LD50 1392 mg/kg /clodenafil propyne technical grade/
Female rat oral LD50 2271 mg/kg /clodenafil propyne technical grade/
For more complete non-human toxicity data for clodenafil propyne (8 types in total), please visit the HSDB record page.

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Toxicity Data
LC50 (rat) > 2,325 mg/m3/4h

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The toxicity profile of Clodinafop-propargyl has been evaluated for environmental and occupational safety. As a herbicide, it may have toxic effects on non-target organisms. Proper handling procedures including use of personal protective equipment are recommended when working with the compound. The compound is not approved for human therapeutic use and is intended for agricultural research purposes only.

[1]. Wenbi Guan, et al. Dissipation of clodinafop-propargyl and its metabolite in wheat field ecosystem. Bull Environ Contam Toxicol. 2013 Jun;90(6):750-5.

Clodinafop-propargyl is a carboxylic acid ester formed by the condensation of the carboxyl group of clodinafop with the hydroxyl group of propargyl-1-ol. It is widely used as a herbicide to control annual grass weeds in cereal crops. It has multiple functions, including as an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor, herbicide, and agrochemical. It is a carboxylic acid ester, aromatic ether, organochlorine compound, organofluorine compound, pyridine compound, and propionamide compound. Its function is similar to that of propargyl-1-ol and clodinafop. Clodinafop-propargyl is used as a wheat herbicide. See also: clodinafop (note moved here).

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Clodinafop-propargyl (CAS# 105512-06-9) is a herbicide of the aryloxyphenoxypropionate class. It has the molecular formula C17H13ClFNO4 and a molecular weight of 349.74. The compound is used for post-emergence control of grass weeds in cereal crops such as wheat. Clodinafop-propargyl inhibits acetyl-CoA carboxylase (ACCase), blocking fatty acid biosynthesis in plants.

C17H13CLFNO4

349.74

349.051

105512-06-9

Clodinafop-propargyl-13C6

92431

Off-white to yellow solid powder

1.3±0.1 g/cm3

432.7±45.0 °C at 760 mmHg

59.5 °C ; MP: 48.2-57.1 °C /Technical/

215.5±28.7 °C

0.0±1.0 mmHg at 25°C

1.559

2.33

0

6

7

24

461

1

ClC1C([H])=NC(=C(C=1[H])F)OC1C([H])=C([H])C(=C([H])C=1[H])O[C@@]([H])(C(=O)OC([H])([H])C#C[H])C([H])([H])[H]

JBDHZKLJNAIJNC-LLVKDONJSA-N

InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1

prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

DMSO: 100 mg/mL (285.93 mM)

Solubility in Formulation 1: 2.5 mg/mL (7.15 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 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 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.

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Solubility in Formulation 2: ≥ 2.5 mg/mL (7.15 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.

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 (Please use freshly prepared in vivo formulations for optimal results.)