| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
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| Targets |
MLS0315771 targets phosphomannose isomerase (MPI), also known as mannose phosphate isomerase, which catalyzes the reversible conversion of fructose-6-phosphate to mannose-6-phosphate. As a competitive inhibitor, it binds to the active site of the enzyme and prevents substrate binding. By inhibiting MPI, the compound disrupts the mannose metabolism pathway, which is essential for glycosylation and the synthesis of glycoproteins and glycolipids. This inhibition increases mannose mobility toward glycosylation. The compound's high potency (IC₅₀ ~1 μM) and selectivity for MPI make it a valuable tool for studying the role of this enzyme in cellular physiology and disease.
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| ln Vitro |
MLS0315771 Increases mannose mobility toward glycosylation. The toxicity of MLS0315771 at greater concentrations is an off-target impact. MLS0315771 is harmful to zebrafish embryos above 2 μM. At 8-10 μM, nearly 50% of embryos become sick within 20 minutes, with the majority dying within 30-60 minutes [1].
In vitro, MLS0315771 is a potent inhibitor of MPI with an IC₅₀ of approximately 1 μM and a Ki of 1.4 μM. Its activity is typically assessed by measuring the inhibition of MPI activity in enzyme assays using purified MPI or cell lysates. The compound increases mannose mobility toward glycosylation. Its effects on glycosylation can be studied by analyzing the glycosylation patterns of cellular proteins. The compound's potency and selectivity make it a valuable tool for studying the role of MPI in glycosylation and mannose metabolism. However, detailed in vitro data on its effects on specific cell types are limited. |
| ln Vivo |
In vivo, MLS0315771 has been studied in zebrafish embryos, where it is toxic above 2 μM. This toxicity at higher concentrations is an off-target effect. The compound's effects on mannose metabolism and glycosylation suggest that it may have systemic effects in vivo, though specific studies in mammalian models are limited. Its potential as a tool for studying MPI in disease models, such as cancer or metabolic disorders, is of interest. However, its toxicity profile may limit its use in vivo. Comprehensive in vivo pharmacokinetic and pharmacodynamic studies are needed.
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| Enzyme Assay |
In vitro non-cell enzyme assays for MLS0315771 involve measuring the inhibition of MPI activity using purified MPI enzyme. The compound is incubated with the enzyme and its substrate, fructose-6-phosphate, and the production of mannose-6-phosphate is measured using a coupled enzyme assay or HPLC. IC₅₀ and Ki values are calculated from dose-response curves and kinetic analysis. These assays provide quantitative data on the compound's potency and mechanism of inhibition. The compound's binding affinity to MPI can be assessed using surface plasmon resonance or isothermal titration calorimetry.
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| Cell Assay |
In vitro cell-based assays for MLS0315771 use various cell lines to study its effects on glycosylation and mannose metabolism. Cells are treated with varying concentrations of the compound, and parameters such as cell viability, glycosylation patterns, and mannose-6-phosphate levels are assessed. Glycosylation is analyzed by lectin-binding assays, Western blotting, or mass spectrometry. The compound's effects on cell proliferation and apoptosis can be assessed using MTT or similar assays. Its toxicity at higher concentrations (above 2 μM) can be evaluated in zebrafish embryo models.
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| Animal Protocol |
In vivo animal studies for MLS0315771 are limited, but zebrafish embryos have been used to study its toxicity. The compound is toxic to zebrafish embryos above 2 μM, and this toxicity at higher concentrations is an off-target effect. Standard protocols for toxicity testing in zebrafish involve exposing embryos to varying concentrations of the compound and monitoring survival, development, and morphology. However, specific mammalian in vivo studies are not extensively documented. The compound's potential for studying MPI in disease models remains to be explored.
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| ADME/Pharmacokinetics |
MLS0315771 has a molecular weight of 273.33 g/mol and a molecular formula of C₁₅H₁₂FNOS. Its chemical name is 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydro-1,2-benzothiazol-3-one. The compound is soluble in DMSO and should be stored under appropriate conditions, typically at -20°C, protected from light and moisture. Its purity is typically ≥98% by HPLC. Detailed pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion have not been extensively characterized.
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| Toxicity/Toxicokinetics |
The toxicity profile of MLS0315771 has been evaluated in zebrafish embryos, where it is toxic above 2 μM. This toxicity at higher concentrations is an off-target effect. The compound's effects on mammalian cells have not been extensively studied, but its potency as an MPI inhibitor suggests that it may have significant biological effects that require careful evaluation. The compound is classified as a research reagent and is not intended for human therapeutic use without further safety evaluation. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
[1]. Sharma V, et al. Phosphomannose isomerase inhibitors improve N-glycosylation in selected phosphomannomutase-deficient fibroblasts. J Biol Chem. 2011 Nov 11;286(45):39431-8.
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| Additional Infomation |
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one is a member of the benzothiazol class of compounds.
MLS0315771 is a potent and biologically active competitive inhibitor of phosphomannose isomerase (MPI) with an IC₅₀ of approximately 1 μM and a Ki of 1.4 μM. It is also known as 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydro-1,2-benzothiazol-3-one. The compound increases mannose mobility toward glycosylation. It is used as a research tool to study the role of MPI in glycosylation and mannose metabolism. The compound is toxic to zebrafish embryos above 2 μM. Not approved for clinical use; intended for research purposes only. |
| Molecular Formula |
C15H12FNOS
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|---|---|
| Molecular Weight |
273.32528591156
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| Exact Mass |
273.062
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| CAS # |
727664-91-7
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| PubChem CID |
1510389
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| Appearance |
Off-white to yellow solid powder
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
19
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| Complexity |
364
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=C(C=C3)F
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| InChi Key |
GRGDWLDSVPJEJU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
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| Chemical Name |
2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
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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 (~365.86 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (9.15 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 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 (9.15 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6586 mL | 18.2929 mL | 36.5858 mL | |
| 5 mM | 0.7317 mL | 3.6586 mL | 7.3172 mL | |
| 10 mM | 0.3659 mL | 1.8293 mL | 3.6586 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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