| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
MDH1-IN-2 selectively targets Malate Dehydrogenase 1 (MDH1), an enzyme involved in the malate-aspartate shuttle and the TCA cycle, with an IC50 of 2.27 microM.
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|---|---|
| ln Vitro |
By inhibiting MDH1, MDH1-IN-2 effectively reduces the conversion of 2-ketoglutaric acid to alpha-hydroxyglutaric acid, thereby mitigating 2-ketoglutaric acid-induced ferroptosis. This mechanism contributes to its potential anticancer activity.
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| ln Vivo |
Dedicated in vivo studies for MDH1-IN-2 are not extensively documented. However, based on its mechanism of MDH1 inhibition, it has shown potential in reducing tumor proliferation and enhancing the effectiveness of other anticancer treatments in preclinical models.
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| Enzyme Assay |
For enzyme inhibition assays, recombinant MDH1 enzyme is incubated with its substrate (oxaloacetate) and NADH. The enzymatic activity is measured spectrophotometrically by monitoring the decrease in absorbance at 340 nm due to NADH oxidation, in the presence or absence of MDH1-IN-2.
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| Cell Assay |
Cancer cell lines are cultured in appropriate media and treated with varying concentrations of MDH1-IN-2. Cell viability is assessed after 48-72 hours using MTT or CellTiter-Glo assays. The IC50 for growth inhibition is calculated from the dose-response curves.
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| Animal Protocol |
In vivo protocols would typically involve establishing tumor xenografts in immunodeficient mice. MDH1-IN-2 would be administered via intraperitoneal or oral routes. Tumor growth inhibition is measured, and metabolic markers such as reactive oxygen species levels in tumor tissues would be analyzed.
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| ADME/Pharmacokinetics |
Detailed PK parameters for MDH1-IN-2 are not extensively documented. As a small molecule with acceptable solubility in DMSO, it is typically formulated for intraperitoneal injection or oral gavage in research settings. Comprehensive ADME studies are not reported.
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| Toxicity/Toxicokinetics |
Toxicological profiles are not well-documented. Given its mechanism targeting a metabolic enzyme, it is expected to have a manageable safety profile. Standard in vitro cytotoxicity assays suggest it has an acceptable window for further development.
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| Additional Infomation |
MDH1-IN-2 is designated as Compound 7c and is a research tool for studying the role of MDH1 in cancer metabolism and ferroptosis. Its ability to modulate ROS levels makes it distinct from traditional cytotoxic agents.
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| Molecular Formula |
C25H33NO5
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|---|---|
| Molecular Weight |
427.53
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| Exact Mass |
427.235
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| CAS # |
2143463-35-6
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| PubChem CID |
137633077
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
31
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| Complexity |
589
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)OC
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| InChi Key |
MHYUTDIUXARMRO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H33NO5/c1-24(2,3)16-25(4,5)18-9-11-19(12-10-18)31-15-22(27)26-20-14-17(23(28)30-7)8-13-21(20)29-6/h8-14H,15-16H2,1-7H3,(H,26,27)
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| Chemical Name |
methyl 4-methoxy-3-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]amino]benzoate
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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 (~58.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (2.34 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1 mg/mL (2.34 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 10.0 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: ≥ 1 mg/mL (2.34 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 | 2.3390 mL | 11.6951 mL | 23.3902 mL | |
| 5 mM | 0.4678 mL | 2.3390 mL | 4.6780 mL | |
| 10 mM | 0.2339 mL | 1.1695 mL | 2.3390 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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