| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
BAY-179 specifically targets mitochondrial complex I (NADH dehydrogenase, OXPHOS complex I). It shows potent inhibition with IC50 values of 79 nM (human), 38 nM (mouse), 27 nM (rat), and 47 nM (dog) enzymes. The compound exhibits species cross-reactivity, making it suitable for studies across different preclinical models.
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|---|---|
| ln Vitro |
In vitro, BAY-179 potently inhibits mitochondrial complex I activity across multiple species. The IC50 values are 79 nM for human, 38 nM for mouse, 27 nM for rat, and 47 nM for dog enzymes. By inhibiting complex I, the compound blocks the mitochondrial electron transport chain, reducing ATP production and altering cellular metabolism in cancer cells.
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| ln Vivo |
In vivo, BAY-179 is an excellent tool for probing the biological relevance of complex I inhibition in cancer indications. It has been used to study the effects of oxidative phosphorylation inhibition on tumor growth and metabolism. The compound's species cross-reactivity enables its use in various preclinical models.
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| Enzyme Assay |
The inhibitory activity of BAY-179 against mitochondrial complex I is assessed using NADH dehydrogenase activity assays. Mitochondrial membranes or purified complex I are incubated with NADH and the electron acceptor (e.g., ubiquinone or decylubiquinone) in the presence of varying concentrations of the compound. The decrease in NADH oxidation is monitored spectrophotometrically at 340 nm. IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for BAY-179 involve treating cancer cells with the compound and assessing mitochondrial function. Oxygen consumption rate (OCR) is measured using Seahorse XF analyzers to evaluate the effect on mitochondrial respiration. Cellular ATP levels are quantified using luciferase-based assays. Cell viability and proliferation are assessed using MTT or CellTiter-Glo assays.
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| Animal Protocol |
In vivo studies of BAY-179 are conducted in mouse xenograft models of cancer. The compound is administered via intraperitoneal (i.p.) injection or oral gavage. Tumor growth is monitored by caliper measurements. Tumor metabolism is assessed by measuring ATP levels, lactate production, and the NAD⁺/NADH ratio in tumor tissues. Pharmacodynamic markers of complex I inhibition are evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of BAY-179 are evaluated in rodents following administration. The compound is formulated in suitable vehicles for in vivo administration. Plasma and tissue concentrations are measured using LC-MS/MS to determine key PK parameters including oral bioavailability, half-life, and tissue distribution. The compound's in vivo suitability has been demonstrated.
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| Toxicity/Toxicokinetics |
BAY-179 is intended for research use only and is not approved for clinical use. Standard toxicology assessments would include acute and repeat-dose toxicity studies in rodents. The compound's potent inhibition of mitochondrial complex I warrants careful evaluation of potential mitochondrial toxicity and effects on tissues with high energy demands.
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| References | |
| Additional Infomation |
BAY-179 is a research tool for studying the role of mitochondrial oxidative phosphorylation in cancer metabolism. Many cancers exhibit altered metabolism, including dependence on oxidative phosphorylation for ATP production and biosynthesis. Complex I inhibitors are being investigated as potential therapeutic agents for targeting metabolic vulnerabilities in cancer. BAY-179 provides a valuable tool for validating complex I as a therapeutic target.
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| Molecular Formula |
C23H21N5OS
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|---|---|
| Molecular Weight |
415.51
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| Exact Mass |
415.15
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| Elemental Analysis |
C, 66.48; H, 5.09; N, 16.85; O, 3.85; S, 7.72
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| CAS # |
2764880-87-5
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| PubChem CID |
162675169
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
588
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1C2=NC(=CS2)C3=CC4=CC=CC=C4O3)CC5=NC6=C(N5)C=CC=N6
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| InChi Key |
JOCPQSJABURDDD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H21N5OS/c1-2-6-19-16(4-1)12-20(29-19)18-14-30-23(26-18)15-7-10-28(11-8-15)13-21-25-17-5-3-9-24-22(17)27-21/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,24,25,27)
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| Chemical Name |
2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
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| Synonyms |
BAY-179; BAY 179; BAY179
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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 : ~62.5 mg/mL (~150.42 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.01 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 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 (5.01 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 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: ≥ 2.08 mg/mL (5.01 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 | 2.4067 mL | 12.0334 mL | 24.0668 mL | |
| 5 mM | 0.4813 mL | 2.4067 mL | 4.8134 mL | |
| 10 mM | 0.2407 mL | 1.2033 mL | 2.4067 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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