| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 500mg |
|
||
| Other Sizes |
| Targets |
Hexaconazole targets fungal sterol 14α-demethylase (CYP51), a cytochrome P450-dependent enzyme involved in ergosterol biosynthesis. By inhibiting the 14α-demethylation of lanosterol, hexaconazole disrupts ergosterol synthesis, leading to the accumulation of toxic methylated sterols and depletion of ergosterol. This disruption compromises fungal cell membrane integrity and results in cell death. The compound is effective against Ascomycetes and Basidiomycetes fungi.
|
|---|---|
| ln Vitro |
In vitro, hexaconazole demonstrates fungicidal activity against a range of fungal pathogens including powdery mildews such as Blumeria graminis and Sphaerotheca species. The compound's antifungal activity is assessed by measuring inhibition of mycelial growth in agar-based assays or by determining minimum inhibitory concentrations. It shows broad-spectrum activity against various plant pathogenic fungi, particularly Ascomycetes and Basidiomycetes.
|
| ln Vivo |
In vivo, hexaconazole is effective as a systemic fungicide for the control of fungal diseases in crops. It is applied as a foliar spray, providing protective and curative effects against a wide range of fungal pathogens including rusts, powdery mildew, leaf spots, and anthracnose. The compound is absorbed by plant tissues and translocated systemically, providing both preventive and therapeutic disease control. It is used on cereals, fruit trees, and ornamental plants.
|
| Enzyme Assay |
In vitro enzyme assays for hexaconazole measure its inhibition of fungal CYP51 activity. The enzyme is obtained from fungal microsomal preparations and incubated with its substrate (lanosterol) in the presence of NADPH and varying concentrations of the compound. The inhibition of 14α-demethylation is quantified by measuring the accumulation of 14α-methylated sterols or the depletion of ergosterol by HPLC or GC-MS. IC50 values are calculated from dose-response curves.
|
| Cell Assay |
In vitro cell-based assays for hexaconazole use fungal cultures of plant pathogenic species. Fungal spores or mycelia are inoculated into liquid or solid media containing serial dilutions of the compound. Antifungal activity is assessed by measuring inhibition of mycelial growth or by determining minimum inhibitory concentrations using broth microdilution methods. Fungicidal activity is evaluated by subculturing onto drug-free media to determine the minimum fungicidal concentration.
|
| Animal Protocol |
In vivo plant assays for hexaconazole involve the treatment of infected crops in greenhouse or field settings. The compound is applied as a foliar spray at various concentrations. Efficacy is evaluated by assessing disease severity, measuring lesion size, or quantifying fungal biomass on treated versus untreated plants. Dose-response studies establish the effective concentration for disease control. The compound's protective and curative activities are assessed in preventive and therapeutic application studies.
|
| ADME/Pharmacokinetics |
Hexaconazole is absorbed by plant tissues and translocated systemically. Its persistence in plants and soil depends on environmental factors including temperature, moisture, and soil type. The compound has a moderate half-life and is subject to degradation by microbial and chemical processes. Residue levels on treated crops are monitored to ensure compliance with maximum residue limits for food safety.
|
| Toxicity/Toxicokinetics |
Hexaconazole has low acute toxicity to mammals and birds. The compound is classified as a demethylation inhibitor. Chronic toxicity studies in animals have been conducted to establish acceptable daily intake levels. The compound is not considered genotoxic at relevant exposure levels. Occupational exposure may cause skin and eye irritation. Appropriate safety precautions should be taken during handling and application.
|
| References |
|
| Additional Infomation |
2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexyl-2-ol belongs to the triazole class of compounds, namely 1-hexyl-1H-1,2,4-triazole, in which the hydrogen at the 2-position of the hexyl chain is replaced by a hydroxyl group and a 2,4-dichlorophenyl group. It is a chelating agent. It is a tertiary alcohol, belonging to the triazole class of compounds, and is also a dichlorobenzene. Hexaconazole is a systemic azole (imidazolium) fungicide used to control various seed-borne and soil-borne diseases and fungi, especially ascomycetes and basidiomycetes. It is commonly used to control diseases of apples, coffee, and flowers. It has broad-spectrum fungicidal activity, exhibiting systemic, protective, and curative properties. It is known to disrupt cell membrane function.
Hexaconazole is registered and marketed as a systemic fungicide for agricultural use in many countries. It is used on a wide range of crops including cereals, fruits, vegetables, and ornamental plants. The compound belongs to the triazole class of fungicides and acts as a sterol demethylation inhibitor. Its broad-spectrum activity and systemic properties make it an important tool for crop protection. |
| Molecular Formula |
C14H17CL2N3O
|
|---|---|
| Molecular Weight |
314.21
|
| Exact Mass |
313.074
|
| CAS # |
79983-71-4
|
| PubChem CID |
66461
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
490.3±55.0 °C at 760 mmHg
|
| Melting Point |
111ºC
|
| Flash Point |
250.3±31.5 °C
|
| Vapour Pressure |
0.0±1.3 mmHg at 25°C
|
| Index of Refraction |
1.598
|
| LogP |
3.66
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
20
|
| Complexity |
308
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
STMIIPIFODONDC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
|
| Chemical Name |
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
|
| Synonyms |
FD 4053; Chlortriafol; Anvil L
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~318.26 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.96 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 (7.96 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.96 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 | 3.1826 mL | 15.9129 mL | 31.8258 mL | |
| 5 mM | 0.6365 mL | 3.1826 mL | 6.3652 mL | |
| 10 mM | 0.3183 mL | 1.5913 mL | 3.1826 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
