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| Other Sizes |
| Targets |
Cloquintocet-mexyl does not have a specific drug target but acts as a herbicide safener in plants. It enhances the activity of cytochrome P450 enzymes in crop plants, which metabolize and detoxify the herbicide clodinafop-propargyl. The compound also induces the expression of glutathione S-transferases (GSTs) and other detoxification enzymes. This selective detoxification allows the herbicide to control weeds while protecting the crop from injury.
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| ln Vitro |
Cloquintocet-mexyl is a herbicide safener that protects cereal crops from injury caused by the herbicide clodinafop-propargyl. It enhances the metabolism of the herbicide in the crop plant by inducing the activity of cytochrome P450 enzymes and glutathione S-transferases. The compound is applied as a co-formulation with the herbicide and is effective at low concentrations. It does not have herbicidal activity on its own.
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| ln Vivo |
Cloquintocet-mexyl has been extensively studied in agricultural settings. In field trials, the compound has been shown to effectively protect wheat and barley crops from injury caused by clodinafop-propargyl. The compound is applied as a co-formulation with the herbicide and is effective across a range of environmental conditions. It does not affect the herbicidal efficacy of clodinafop-propargyl against target weeds.
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| Enzyme Assay |
The in vitro assay for cloquintocet-mexyl typically involves measuring its effects on enzyme activity in plant tissues. The compound's ability to induce cytochrome P450 and glutathione S-transferase activities is assessed using standard enzyme assays. Plant microsomes or cytosolic fractions are incubated with the compound and specific substrates, and the enzymatic activity is measured spectrophotometrically or using HPLC.
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| Cell Assay |
The in vitro cellular assay for cloquintocet-mexyl typically involves culturing plant cells or protoplasts and treating them with varying concentrations of the compound. Cellular responses such as enzyme induction, herbicide metabolism, and cell viability are measured. The compound's ability to protect plant cells from herbicide injury is assessed by co-treating cells with the herbicide and measuring cell survival or metabolic activity.
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| Animal Protocol |
In vivo animal studies are not typically performed for cloquintocet-mexyl, as it is an agricultural chemical used in plants. However, toxicological studies in animals are required for regulatory approval. These studies typically involve the administration of the compound to rodents via oral gavage, and parameters such as acute toxicity, subchronic toxicity, and reproductive toxicity are assessed. The compound has low toxicity to mammals.
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| ADME/Pharmacokinetics |
Cloquintocet-mexyl has a molecular weight of 319.78 g/mol and a molecular formula of C18H22ClNO3. It is a lipophilic compound with low water solubility. The compound is stable under normal storage conditions and is formulated as an emulsifiable concentrate or suspension concentrate for agricultural application. It is rapidly metabolized in plants and has a short half-life in the environment.
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| Toxicity/Toxicokinetics |
Cloquintocet-mexyl has low toxicity to mammals and is considered safe for agricultural use. In toxicological studies, the compound has low acute oral and dermal toxicity. It is not considered genotoxic, carcinogenic, or teratogenic. The compound is also low in toxicity to birds, fish, and other non-target organisms. It is approved for use in agriculture in many countries.
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| Additional Infomation |
Hept-2-yl[(5-chloroquinoline-8-yl)oxy]acetate is a quinoline compound in which the quinoline is substituted with a chlorine atom at the 5-position and with a 2-[(hept-2-yl)oxy]-2-oxoethoxy group at the 8-position. It is an aromatic ether, an organochlorine compound, a quinoline compound, and a carboxylic acid ester.
Cloquintocet-mexyl is a herbicide safener used in agriculture to protect cereal crops from injury caused by the herbicide clodinafop-propargyl. It is a member of the quinoline class of compounds and is applied as a co-formulation with the herbicide. The compound works by enhancing the metabolism of the herbicide in the crop plant. It is approved for use in agriculture in many countries and is considered safe for use at recommended application rates. |
| Molecular Formula |
C18H22CLNO3
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|---|---|
| Molecular Weight |
335.8252
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| Exact Mass |
335.128
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| CAS # |
99607-70-2
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| PubChem CID |
93528
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
448.4±30.0 °C at 760 mmHg
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| Melting Point |
70 °C
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| Flash Point |
225.0±24.6 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.554
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| LogP |
5.01
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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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 |
ClC1C([H])=C([H])C(=C2C=1C([H])=C([H])C([H])=N2)OC([H])([H])C(=O)OC([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
COYBRKAVBMYYSF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
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| Chemical Name |
heptan-2-yl 2-(5-chloroquinolin-8-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 : ≥ 68 mg/mL (~202.48 mM)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9777 mL | 14.8885 mL | 29.7770 mL | |
| 5 mM | 0.5955 mL | 2.9777 mL | 5.9554 mL | |
| 10 mM | 0.2978 mL | 1.4888 mL | 2.9777 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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