| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
MDH1-IN-1 selectively targets Malate Dehydrogenase 1 (MDH1), a key enzyme in the malate-aspartate shuttle and cellular metabolism. Its selectivity over the mitochondrial isoform MDH2 (>40 microM) indicates specificity for the cytoplasmic isoform.
|
|---|---|
| ln Vitro |
By inhibiting MDH1, MDH1-IN-1 disrupts cellular metabolism and redox balance. It has demonstrated potential in reducing tumor proliferation and enhancing the effectiveness of other anticancer treatments in preclinical models. It shows potential for studying immune system-related diseases.
|
| ln Vivo |
Dedicated in vivo efficacy studies for MDH1-IN-1 are not extensively documented in standard profiles. Its activity is primarily characterized by in vitro enzymatic and cellular assays. Further animal model studies are required to confirm its therapeutic potential.
|
| Enzyme Assay |
Recombinant MDH1 enzyme is incubated with oxaloacetate and NADH. The enzymatic activity is measured spectrophotometrically by monitoring NADH oxidation at 340 nm in the presence of varying concentrations of MDH1-IN-1. The IC50 is calculated from the inhibition curve.
|
| Cell Assay |
Cancer cell lines (e.g., A549, H1299) are cultured in RPMI-1640 media with 10% FBS. Cells are treated with MDH1-IN-1 across a concentration range (0.1 uM to 100 uM) for 48-72 hours. Cell viability is assessed using the Cell Counting Kit-8 (CCK-8) or MTT assay. IC50 values are calculated.
|
| Animal Protocol |
In vivo protocols are not well-documented for MDH1-IN-1 specifically. A standard protocol for a metabolic inhibitor would involve establishing a subcutaneous tumor model in nude mice, followed by daily intraperitoneal injections of the compound dissolved in a vehicle (e.g., DMSO/PEG300).
|
| ADME/Pharmacokinetics |
Detailed PK parameters for MDH1-IN-1 are not extensively documented. As a research compound with potential for cancer research, standard PK profiling (oral bioavailability, half-life, clearance) has not been widely reported. It is typically used in cellular assays.
|
| Toxicity/Toxicokinetics |
Toxicological data for MDH1-IN-1 is not available in standard profiles. Given its mechanism as a metabolic enzyme inhibitor, comprehensive toxicology studies would be needed for preclinical development. Standard lab safety precautions apply.
|
| Additional Infomation |
MDH1-IN-1 is designated as Compound 5i and serves as a research tool for studying the role of MDH1 in cancer metabolism. It complements other MDH1 inhibitors such as MDH1-IN-2, providing a tool with a different potency and selectivity profile.
|
| Molecular Formula |
C21H25NO4
|
|---|---|
| Molecular Weight |
355.43
|
| Exact Mass |
355.178
|
| CAS # |
2143463-31-2
|
| PubChem CID |
137648461
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
5.1
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
26
|
| Complexity |
432
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCCC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)OC
|
| InChi Key |
HDBDOZJTIIABKV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H25NO4/c1-3-4-5-7-16-10-12-19(13-11-16)26-15-20(23)22-18-9-6-8-17(14-18)21(24)25-2/h6,8-14H,3-5,7,15H2,1-2H3,(H,22,23)
|
| Chemical Name |
methyl 3-[[2-(4-pentylphenoxy)acetyl]amino]benzoate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~281.35 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.03 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 25.0 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 | 2.8135 mL | 14.0675 mL | 28.1349 mL | |
| 5 mM | 0.5627 mL | 2.8135 mL | 5.6270 mL | |
| 10 mM | 0.2813 mL | 1.4067 mL | 2.8135 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
