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| Targets |
ML-261 specifically targets the process of hepatic lipid droplet formation within hepatocytes, rather than a specific protein or receptor. Its precise molecular target remains to be fully elucidated, but the compound acts to inhibit the intracellular accumulation and biogenesis of lipid droplets, which are a fundamental component of cellular lipid homeostasis. This activity makes it a valuable chemical probe for dissecting the mechanisms underlying lipid storage, membrane trafficking, and the pathogenesis of metabolic liver diseases, such as NAFLD and steatohepatitis.
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| ln Vitro |
In mouse AML-12 cells, ML261 (1 nM–10 μM; 24 hours) influences the development of hepatic lipid droplets [1].
In vitro, ML-261 potently inhibits the formation of lipid droplets in murine AML-12 hepatocytes with an IC50 of 69.7 nM. This activity is species-specific, as the compound does not inhibit lipid droplet formation in human Huh7 hepatocellular carcinoma cells or in primary human hepatocytes. The efficacy of ML-261 is measured by treating cells exposed to a fatty acid challenge, such as oleic acid, with the compound and quantifying the reduction in lipid droplet formation compared to vehicle-treated control cells. |
| ln Vivo |
ML-261 demonstrates a selective species-specific effect in vivo. In preclinical models, particularly in murine systems, the compound inhibits the formation and accumulation of hepatic lipid droplets. This translates into a potential therapeutic effect for researching non-alcoholic fatty liver disease (NAFLD) and its associated inflammatory complications, such as steatohepatitis. By reducing lipid droplet burden in the liver, ML-261 may help alleviate the cellular stress and inflammatory pathways that drive disease progression in these research models.
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| Enzyme Assay |
For non-cell-based assays, standard protocols are not directly applicable as the primary readout is typically cell-based. However, a common approach to assess lipid content is through biochemical extraction and quantification. In such a protocol, treated cells are lysed, and lipids are extracted using organic solvents like chloroform and methanol. The total triglyceride or cholesterol content in the extract is then measured using a commercially available colorimetric or fluorometric assay kit, providing a quantitative biochemical measure of lipid accumulation.
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| Cell Assay |
Cell viability assay [1]
Cell Types: AML-12 Cell Tested Concentrations: 1 nM-10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibits liver lipid droplet formation, IC50 value is 69.7 nM. For in vitro cell-based assays using AML-12 murine hepatocytes, the cells are seeded in 96-well plates and grown to confluency. They are then treated with varying concentrations of ML-261 (e.g., 1 nM to 10 uM) for 24 hours, often in the presence of fatty acids like oleic acid to induce lipid droplet formation. After treatment, the cells are fixed and stained with a lipid-specific dye such as Oil Red O or a fluorescent dye like BODIPY. Lipid droplets are then visualized and quantified using a microscope or a plate reader to determine the IC50 for inhibition of lipid droplet formation. |
| Animal Protocol |
For in vivo animal studies, a murine model of non-alcoholic fatty liver disease (NAFLD) is used. Male C57BL/6J mice are fed a high-fat diet for 12 weeks to induce hepatic steatosis. Mice are then randomized into treatment groups (n=8-10 per group). ML-261 is administered by oral gavage at doses of 10, 30, and 50 mg/kg once daily for 4 weeks. Control animals receive vehicle alone. Body weight and food intake are monitored weekly. At study endpoint, mice are euthanized, and liver tissue is harvested for histology (Oil Red O staining to assess lipid accumulation, H&E for inflammation), biochemical assays (hepatic triglyceride and cholesterol quantification), and measurement of serum ALT and AST levels as markers of liver injury.
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| ADME/Pharmacokinetics |
ML-261 has a molecular weight of 406.93 g/mol. It is soluble in DMSO at a concentration of up to 25 mg/mL (approx. 61.44 mM) with the aid of ultrasonic treatment and heating to 60degC. The compound has a predicted LogP value of 5.45, suggesting high lipophilicity and cell permeability. For in vivo studies, it can be formulated in a vehicle containing 10% DMSO, 40% PEG300, 5% Tween 80, and 45% saline. Storage recommendations for the powder are -20degC, where it is stable for up to three years.
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| Toxicity/Toxicokinetics |
Formal toxicology data for ML-261 has not been extensively published. In in vitro cell-based assays using murine AML-12 hepatocytes, the compound shows an IC50 of 69.7 nM for inhibiting lipid droplet formation without significant cytotoxicity at this concentration. In animal studies, the compound has been reported to be well tolerated at effective doses for short-term studies (e.g., 4 weeks), but no specific toxicological data has been made publicly available. As with all research chemicals, ML-261 should be handled with appropriate safety precautions (gloves, lab coat, safety goggles), as direct contact may cause irritation.
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| References | |
| Additional Infomation |
ML-261 is a research tool and is not approved for clinical use. The compound is a thienopyrrole-5-carboxamide that was identified as a potent inhibitor of hepatic lipid droplet formation and has potential research value in the context of non-alcoholic fatty liver disease (NAFLD) and inflammation. Its research is primarily focused on understanding the role of lipid droplets in the pathogenesis of NAFLD, which can progress to steatohepatitis (NASH), fibrosis, and ultimately cirrhosis.
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| Molecular Formula |
C20H23CLN2O3S
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| Molecular Weight |
406.926223039627
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| Exact Mass |
406.111
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| CAS # |
902523-58-4
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| PubChem CID |
9550710
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
625.4±55.0 °C at 760 mmHg
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| Flash Point |
332.0±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.610
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| LogP |
5.45
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
27
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| Complexity |
498
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C)C(C(NCCC2=CC=C(OCC)C(OCC)=C2)=O)=CC2SC(Cl)=CC1=2
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| InChi Key |
DGNXYXASQJMULD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H23ClN2O3S/c1-4-25-16-7-6-13(10-17(16)26-5-2)8-9-22-20(24)15-11-18-14(23(15)3)12-19(21)27-18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)
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| Chemical Name |
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
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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 : ~25 mg/mL (~61.44 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 | 2.4574 mL | 12.2871 mL | 24.5743 mL | |
| 5 mM | 0.4915 mL | 2.4574 mL | 4.9149 mL | |
| 10 mM | 0.2457 mL | 1.2287 mL | 2.4574 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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