| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
ML400 targets low molecular weight protein tyrosine phosphatase (LMPTP), an enzyme involved in insulin signaling and adipogenesis. By inhibiting LMPTP, ML400 modulates metabolic pathways related to lipid metabolism and insulin sensitivity.
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|---|---|
| ln Vitro |
In 3T3-L1 cells, ML 400 (10 µM; 2 days) inhibits adipogenesis [1].
In vitro, ML400 (10 µM; 2 days) prevents adipogenesis in 3T3-L1 cells. It displays good cell-based activity, confirming its ability to inhibit LMPTP and block the differentiation of pre-adipocytes into mature adipocytes. These effects are consistent with the role of LMPTP in adipocyte differentiation. |
| ln Vivo |
In vivo studies for ML400 are limited. It has been reported to display good rodent pharmacokinetics, suggesting favorable oral bioavailability and systemic exposure. However, detailed in vivo efficacy data in disease models have not been extensively published.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for ML400 involves measuring LMPTP phosphatase activity using a synthetic substrate such as para-nitrophenyl phosphate (pNPP). ML400 is incubated with the enzyme, and the release of p-nitrophenol is monitored spectrophotometrically at 405 nm. The IC50 is determined by plotting the percentage of remaining activity against compound concentration.
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| Cell Assay |
Cellular activity of ML400 is assessed in 3T3-L1 mouse embryonic fibroblast cells, which can differentiate into adipocytes. Cells are treated with ML400 (10 µM) for 2 days during the differentiation process. Adipogenesis is evaluated by Oil Red O staining to visualize lipid accumulation, and the extent of inhibition is quantified.
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| Animal Protocol |
In vivo animal studies for ML400 have not been widely reported. As a tool compound for metabolic research, it could be evaluated in mouse models of obesity or insulin resistance. However, specific protocols and results are not available in the public domain.
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| ADME/Pharmacokinetics |
ML400 demonstrates good rodent pharmacokinetics, suggesting favorable absorption and systemic exposure. It has a molecular weight of 375.51 g/mol and a molecular formula of C24H29N3O. Detailed ADME parameters such as half-life, clearance, and bioavailability have not been disclosed.
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| Toxicity/Toxicokinetics |
Toxicity data for ML400 are limited. It is a research-grade compound, and comprehensive toxicological evaluations have not been published. No significant cytotoxicity has been reported in the available literature.
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| References |
[1]. Ardecky RJ, et al. Allosteric Small Molecule Inhibitors of LMPTP. 2014 Apr 15 [updated 2015 Jan 16]. In: Probe Reports from the NIH Molecular Libraries Program . Bethesda (MD): National Center for Biotechnology Information (US); 2010–.
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| Additional Infomation |
ML400 is a first-in-class selective allosteric inhibitor of LMPTP developed as a chemical probe. It has not entered clinical trials. Its mechanism involves allosteric inhibition of LMPTP, making it a valuable tool for studying the role of this phosphatase in metabolism and insulin signaling.
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| Molecular Formula |
C24H29N3O
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|---|---|
| Molecular Weight |
375.50656580925
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| Exact Mass |
375.231
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| CAS # |
1908414-42-5
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| PubChem CID |
73050850
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
5
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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 |
7
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| Heavy Atom Count |
28
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| Complexity |
445
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCN4CCCCC4
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| InChi Key |
CCEQOVGPLKQKET-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H29N3O/c1-28-20-12-10-19(11-13-20)23-18-24(21-8-3-4-9-22(21)26-23)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13,18H,2,5-7,14-17H2,1H3,(H,25,26)
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| Chemical Name |
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
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| Synonyms |
ML 400; ML-400; ML400
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.6630 mL | 13.3152 mL | 26.6304 mL | |
| 5 mM | 0.5326 mL | 2.6630 mL | 5.3261 mL | |
| 10 mM | 0.2663 mL | 1.3315 mL | 2.6630 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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