| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
M77976 targets pyruvate dehydrogenase kinase 4 (PDK4). It is a selective, ATP-competitive inhibitor of PDK4 with an IC50 of 648 μM. The compound binds to the ATP-binding pocket of PDK4.
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| ln Vitro |
Complete disruption of the ATP cover is the outcome of local conformational alterations brought about by M77976's attachment to PDK4's ATP-binding pocket [1]. M77976 interacts hydrophobically with PDK4 side chains Asn258, Ala262, Val298, Leu306, and Thr358 [1].
M77976 inhibits PDK4 with an IC50 of 648 μM. It binds to the ATP-binding pocket of PDK4 and causes local conformational changes with complete disordering of the ATP lid. The compound makes hydrophobic interactions with the side chains of Asn258, Ala262, Val298, Leu306, and Thr358 of PDK4. |
| ln Vivo |
In vivo, M77976 has potential for the research of obesity and diabetes. PDK4 plays a critical role in glucose and lipid metabolism, making it a relevant target for metabolic disorders. Further studies are needed to fully characterize its in vivo efficacy.
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| Enzyme Assay |
In vitro enzyme assays measure the inhibition of PDK4 kinase activity. M77976 is incubated with purified PDK4, ATP, and a substrate, and kinase activity is measured. The IC50 is determined from dose-response curves. ATP-competitive inhibition is confirmed by varying ATP concentrations.
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| Cell Assay |
In vitro cellular assays evaluate the effects of M77976 on glucose and lipid metabolism. Cells such as hepatocytes or adipocytes are treated with the compound, and markers of metabolism are measured. The compound's effects on PDK4 activity and downstream metabolic pathways are assessed.
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| Animal Protocol |
In vivo animal experiments for M77976 are conducted in mouse models of obesity and diabetes. The compound is administered, and metabolic parameters such as glucose tolerance, insulin sensitivity, and lipid levels are measured. The compound's potential for treating metabolic disorders is evaluated.
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| ADME/Pharmacokinetics |
M77976 has a molecular formula of C17H16N2O3 and a molecular weight of 296.32. It has a CAS number of 394237-61-7. The compound is soluble in DMSO at 10 mM. It is a selective inhibitor of PDK4. The compound should be stored under recommended conditions as per the certificate of analysis.
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| Toxicity/Toxicokinetics |
The toxicity profile of M77976 is not well documented. As a PDK4 inhibitor, its effects are related to modulation of glucose and lipid metabolism. Standard toxicological studies would be required for therapeutic development. The compound is used primarily as a research tool.
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| References | |
| Additional Infomation |
M77976 is a research tool for studying the role of PDK4 in glucose and lipid metabolism. It has potential applications in obesity and diabetes research. The compound binds to the ATP-binding pocket of PDK4 and causes conformational changes. It is also known as PDK4 inhibitor.
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| Molecular Formula |
C17H16N2O3
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|---|---|
| Molecular Weight |
296.321
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| Exact Mass |
296.116
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| CAS # |
394237-61-7
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| PubChem CID |
764764
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
360
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C2=C(C)NN=C2C2=CC=C(O)C=C2O)C=C1
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| InChi Key |
GSBFARPNIZUMHA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
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| Chemical Name |
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
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| Synonyms |
M 77976; M-77976; M77976
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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 : ~250 mg/mL (~843.68 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.02 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 (7.02 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 (7.02 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 | 3.3747 mL | 16.8737 mL | 33.7473 mL | |
| 5 mM | 0.6749 mL | 3.3747 mL | 6.7495 mL | |
| 10 mM | 0.3375 mL | 1.6874 mL | 3.3747 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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