| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The primary target is COQ7, a mitochondrial enzyme responsible for the final hydroxylation steps in ubiquinone (Coenzyme Q10) biosynthesis. By inhibiting COQ7, the compound disrupts the conversion of demethoxyubiquinone (DMQ10) to ubiquinone (UQ10), thereby interfering with mitochondrial electron transport chain function and cellular energy production.
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| ln Vitro |
COQ7-IN-2 (compound 12) exhibits lower growth inhibition when it comes to human normal culture cells[1]. Both PANC-1 cells (8.7% by COQ7-IN-2 (compound 12)) and PC3 cells (14.0 % by COQ7-IN-2 (compound 12)) exhibited significant DMQ10 accumulation[1].
In vitro, COQ7-IN-2 inhibits COQ7 activity in cultured human cells, leading to a decrease in ubiquinone (UQ10) accumulation (IC50 = 15.4 uM) and an accumulation of the biosynthetic intermediate DMQ10 (IC50 = 7.3 uM). Importantly, it shows minimal interference with physiological cell growth in normal human cultured cells at effective concentrations, making it a selective tool for studying UQ biology. |
| ln Vivo |
Specific in vivo activity data for COQ7-IN-2 is not extensively detailed. Based on its mechanism, it would be expected to reduce tissue CoQ10 levels in animal models, potentially leading to impaired mitochondrial function and susceptibility to oxidative stress. It could be used in mouse models of CoQ10 deficiency or metabolic disorders to study compensatory pathways and validate CoQ7 as a therapeutic target.
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| Enzyme Assay |
A non-cellular biochemical assay using recombinant human COQ7 and its redox partner proteins (e.g., ferredoxin and ferredoxin reductase) is performed. The enzyme is incubated with the substrate DMQ10 and an NADPH-generating system in the presence of varying concentrations of COQ7-IN-2 (0-100 uM). The reaction is stopped, and the conversion to UQ10 is quantified by HPLC or LC-MS. The IC50 for UQ10 production (reported as 15.4 uM) is calculated from these assays.
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| Cell Assay |
The primary cellular assay measures CoQ10 levels and cell growth. Normal human fibroblasts or HEK293 cells are treated with COQ7-IN-2 at concentrations of 0-50 uM for 48-72 hours. Lipids are extracted from cell pellets using organic solvents, and the levels of DMQ10 and UQ10 are quantified by LC-MS/MS. Parallel cultures are used to assess cell viability by MTT assay to confirm the compound does not interfere with physiological cell growth at effective concentrations.
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| Animal Protocol |
An in vivo protocol for studying ubiquinone pathways typically uses mice. C57BL/6 mice are administered COQ7-IN-2 by oral gavage or intraperitoneal injection at doses of 10-50 mg/kg daily for 7-14 days. Tissues (liver, heart, kidney, skeletal muscle) are harvested at the end of the study. Coenzyme Q10 (UQ10) and its precursor DMQ10 are extracted from tissue homogenates and quantified by LC-MS/MS to assess target engagement and the degree of UQ10 depletion in each organ.
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| ADME/Pharmacokinetics |
COQ7-IN-2 has a molecular weight of 251.28 (C15H13N3O). Solubility data indicates it is soluble in DMSO (20 mg/mL, 79.59 mM). For in vivo studies, it can be formulated in 10% DMSO + 90% corn oil (2 mg/mL, 7.96 mM). Detailed half-life, bioavailability, and clearance data are not publicly available. As a small molecule, it is expected to be bioavailable and distributed to mitochondria-rich tissues.
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| Toxicity/Toxicokinetics |
Specific toxicity data is not publicly available. In vitro, COQ7-IN-2 shows minimal interference with physiological cell growth in normal human cultured cells at concentrations up to 50 uM, indicating a favorable safety window for research applications. Long-term toxicity studies in animals have not been reported. Standard laboratory safety precautions should be followed.
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| References |
[1]. Keiko Tsuganezawa, et al. Identification of small molecule inhibitors of human COQ7. Bioorg Med Chem. 2020 Jan 1;28(1):115182.
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| Additional Infomation |
COQ7-IN-2 (compound 12) is a potent human COQ7 inhibitor developed to study the UQ (ubiquinone) complementation pathway. Its IUPAC name is 2-(5-methylpyridin-2-yl)-5-phenyl-2,3-dihydro-1H-pyrazol-3-one. It is a valuable tool for studying mitochondrial metabolism, oxidative phosphorylation, and CoQ-related disorders such as CoQ10 deficiency, neurodegeneration, and metabolic syndromes. It has no clinical approval.
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| Molecular Formula |
C15H13N3O
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|---|---|
| Molecular Weight |
251.2832
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| Exact Mass |
251.105
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| CAS # |
2579696-76-5
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| PubChem CID |
155981981
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| Appearance |
White to off-white solid powder
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
374
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CN=C(C=C1)N2C(=O)C=C(N2)C3=CC=CC=C3
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| InChi Key |
SKJOGGJAXXEJKE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H13N3O/c1-11-7-8-14(16-10-11)18-15(19)9-13(17-18)12-5-3-2-4-6-12/h2-10,17H,1H3
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| Chemical Name |
2-(5-methylpyridin-2-yl)-5-phenyl-1H-pyrazol-3-one
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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 (99.49 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.95 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 | 3.9796 mL | 19.8981 mL | 39.7962 mL | |
| 5 mM | 0.7959 mL | 3.9796 mL | 7.9592 mL | |
| 10 mM | 0.3980 mL | 1.9898 mL | 3.9796 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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