| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
ML251 targets phosphofructokinase (PFK), a key regulatory enzyme in the glycolytic pathway of Trypanosoma brucei and Trypanosoma cruzi. PFK catalyzes the phosphorylation of fructose-6-phosphate to fructose-1,6-bisphosphate, a rate-limiting step in glycolysis. By inhibiting PFK, ML251 disrupts energy metabolism in the parasites, leading to their death. The compound shows potent inhibition of T. brucei PFK (IC50=0.37 μM) and T. cruzi PFK (IC50=0.13 μM).
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| ln Vitro |
The toxicity of ML251 (T. brucei; 0~33.3 μg/mL) is moderate and depends on the dose [1].
ML251 is a potent inhibitor of T. brucei PFK with an IC50 of 0.37 μM and T. cruzi PFK with an IC50 of 0.13 μM. The compound shows nanomolar potency against both parasite enzymes. ML251 can be used for parasite studies. Detailed in vitro activity against other organisms or cell lines has not been extensively reported. |
| ln Vivo |
In vivo activity data for ML251 are limited as the compound is primarily a research tool for in vitro studies. As a potent inhibitor of trypanosomal PFK, ML251 may have potential for in vivo efficacy in animal models of African trypanosomiasis or Chagas disease. However, detailed in vivo efficacy studies have not been extensively reported. The compound could be used in mouse models of parasitic infection to evaluate its therapeutic potential.
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| Enzyme Assay |
PFK enzyme activity assays are performed using recombinant T. brucei or T. cruzi PFK enzymes. The assay measures the conversion of fructose-6-phosphate to fructose-1,6-bisphosphate in the presence of ATP. ML251 is incubated with the enzyme and substrates in assay buffer for 15-30 minutes. The reaction is stopped and product formation is quantified using a coupled enzyme assay or by measuring NADH oxidation. IC50 values are calculated from concentration-response curves.
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| Cell Assay |
Cytotoxicity assay [1]
Cell Types: T. brucei Tested Concentrations: 0~33.3 μg/mL Incubation Duration: Experimental Results: Cell viability diminished in a dose-dependent manner. Parasite growth inhibition assays are performed using cultured T. brucei or T. cruzi parasites. Parasites are cultured in appropriate media and treated with varying concentrations of ML251 for 24-72 hours. Parasite viability is assessed by counting motile parasites, using resazurin reduction assays, or by measuring ATP levels. IC50 values for parasite growth inhibition are calculated. The selectivity of ML251 for parasite PFK versus host PFK can be assessed using mammalian cell lines. |
| Animal Protocol |
In vivo efficacy of ML251 would typically be evaluated in mouse models of T. brucei or T. cruzi infection. Infected mice would be treated with ML251 via intraperitoneal or oral administration at various doses. Parasitemia would be monitored by blood smear analysis. Survival rates would be recorded. However, detailed published in vivo protocols for ML251 are limited as the compound is primarily a research tool for in vitro studies.
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| ADME/Pharmacokinetics |
ML251 has molecular formula C17H13Cl2N3O4S and molecular weight 426.27. The compound is a solid and should be stored at -20°C for long-term stability. It is soluble in DMSO and other organic solvents. The compound is a research-use only reagent for studying trypanosomal metabolism and for parasite research.
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| Toxicity/Toxicokinetics |
Toxicological data for ML251 are limited as it is a research compound. As a PFK inhibitor targeting parasite metabolism, potential toxicities would be related to effects on host glycolysis if selectivity is not absolute. The compound should be handled with appropriate laboratory safety precautions. In cell culture, the compound is typically used at concentrations around its IC50 values (0.13-0.37 μM). Standard preclinical safety assessments would be required for any therapeutic development.
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| References | |
| Additional Infomation |
ML251 is a potent, novel nanomolar inhibitor of T. brucei and T. cruzi phosphofructokinase (PFK). It inhibits T. brucei PFK with an IC50 of 0.37 μM and T. cruzi PFK with an IC50 of 0.13 μM. The compound can be used for parasite research. PFK is a key regulatory enzyme in the glycolytic pathway of these parasites, making it an attractive target for anti-trypanosomal drug development.
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| Molecular Formula |
C17H13CL2N3O4S
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|---|---|
| Molecular Weight |
426.27
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| Exact Mass |
425
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| CAS # |
1486482-16-9
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| PubChem CID |
53255421
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Index of Refraction |
1.669
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| LogP |
3.61
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
608
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C(C([H])=C([H])C(=C1[H])C([H])([H])C(N([H])C1C([H])=C([H])C(=C([H])C=1[H])S(N([H])C1C([H])=C([H])ON=1)(=O)=O)=O)Cl
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| InChi Key |
AIDVIFPYWYKRCE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)
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| Chemical Name |
2-(3,4-Dichlorophenyl)-N-[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
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| Synonyms |
ML251; ML-251; ML 251
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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 : ~250 mg/mL (~586.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.88 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 20.8 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: ≥ 2.08 mg/mL (4.88 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3459 mL | 11.7297 mL | 23.4593 mL | |
| 5 mM | 0.4692 mL | 2.3459 mL | 4.6919 mL | |
| 10 mM | 0.2346 mL | 1.1730 mL | 2.3459 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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