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ME-1111 (ME1111) is a novel and potent antifungal agent with activity against dermatophytes and can be used for topical treatment of onychomycosis.
| ln Vitro |
Trichophyton mentagrophytes TIMM 2789 is inhibited by ME1111 with MICs of 0.25 μg/mL and 0.5 μg/mL in SDB and RPMI 1640 medium, respectively [1]. ME1111 primarily modifies cell membrane permeability [1]. ME1111 only exhibits modest inhibition in human cell lines, while it strongly inhibits the succinate-2,6-dichlorophenol reductase process in Trichophyton rubrum and Trichophyton mentagrophytes (IC50: 0.029 μg/mL, 0.025 μg/mL) [2].
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| Cell Assay |
Cell viability assay[1]
Cell Types: T. mentagrophytes TIMM 2789 Tested Concentrations: 0.125 μg/mL, 0.0625 μg/mL Incubation Duration: 4 hrs (hours), 8 hrs (hours), 24 hrs (hours) Experimental Results: Inhibition of mycelial growth in a dose-dependent and time-dependent manner dependent manner and induce various morphological changes. |
| References |
[1]. Nishiyama Y, et al. Morphological Effect of the New Antifungal Agent ME1111 on Hyphal Growth of Trichophyton mentagrophytes, Determined by Scanning and Transmission Electron Microscopy. Antimicrob Agents Chemother. 2016 Dec 27;61(1).
[2]. Takahata S, et al. Mechanism of Action of ME1111, a Novel Antifungal Agent for Topical Treatment of Onychomycosis. Antimicrob Agents Chemother. 2015 Nov 23;60(2):873-80. |
| Molecular Formula |
C12H14N2O
|
|---|---|
| Molecular Weight |
202.2524
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| Exact Mass |
202.11
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| CAS # |
1391758-52-3
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| PubChem CID |
60143882
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
2.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
15
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| Complexity |
222
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
VQXHPRBERPTLQW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H14N2O/c1-8-4-5-11(12(15)6-8)14-10(3)7-9(2)13-14/h4-7,15H,1-3H3
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| Chemical Name |
2-(3,5-dimethylpyrazol-1-yl)-5-methylphenol
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| Synonyms |
ME1111 ME 1111 ME-1111
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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 (~494.44 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.36 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 (12.36 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 (12.36 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 | 4.9444 mL | 24.7219 mL | 49.4438 mL | |
| 5 mM | 0.9889 mL | 4.9444 mL | 9.8888 mL | |
| 10 mM | 0.4944 mL | 2.4722 mL | 4.9444 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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