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| Targets |
ML-090 targets NADPH oxidase 1 (NOX1), a membrane-bound enzyme complex that catalyzes the transfer of electrons from NADPH to molecular oxygen, generating superoxide and other reactive oxygen species (ROS). NOX1 is involved in various physiological and pathological processes including inflammation, cell proliferation, and angiogenesis. ML-090 is a NOX1-specific inhibitor with an IC50 of 90 nM and shows >100-fold selectivity for NOX1 over NOX2, NOX3, and NOX4 (all IC50s > 10 μM).
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| ln Vitro |
ML-090 is a NOX1-specific inhibitor with an IC50 of 90 nM. It demonstrates potent selectivity for NOX1 over NOX2, NOX3, and NOX4 (all IC50s > 10 μM). In HEK293 cells, ML-090 has an IC50 of 360 nM. ML-090 also inhibits xanthine oxidase with an IC50 of 3.5 μM. The compound is based on a quinoxaline scaffold.
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| ln Vivo |
In vivo activity data for ML-090 are limited as the compound is primarily a research tool for in vitro studies. As a NOX1-specific inhibitor, it may have potential for in vivo efficacy in models of inflammation, fibrosis, or cancer where NOX1 plays a role. However, detailed in vivo efficacy studies have not been extensively reported. The compound could be used in animal models to evaluate the role of NOX1 in various diseases.
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| Enzyme Assay |
NOX1 enzyme activity assays are performed using cell-based or cell-free systems. NOX1 activity is measured by detecting superoxide production using chemiluminescent probes (e.g., lucigenin) or fluorescent probes (e.g., DCFH-DA). ML-090 is incubated with NOX1-expressing cells or membrane preparations at varying concentrations. Superoxide production is measured after stimulation with appropriate activators (e.g., phorbol esters). IC50 values are calculated from concentration-response curves.
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| Cell Assay |
Cellular assays for ML-090 employ NOX1-expressing cell lines (e.g., HEK293 cells transfected with NOX1). Cells are seeded in multi-well plates and pre-incubated with varying concentrations of ML-090. NOX1 activity is stimulated with appropriate activators, and ROS production is measured using fluorescent probes. IC50 values are calculated from concentration-response curves. Selectivity for NOX1 over NOX2, NOX3, and NOX4 is confirmed using cells expressing each isoform.
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| Animal Protocol |
In vivo studies with ML-090 would typically be performed in animal models of diseases where NOX1 plays a role, such as inflammation, fibrosis, or cancer. The compound would be administered via intraperitoneal or oral routes at various doses. ROS levels and disease parameters would be measured. However, detailed published in vivo protocols for ML-090 are limited as it is primarily a research tool.
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| ADME/Pharmacokinetics |
ML-090 (Fluoflavine) has molecular formula C14H10N4 and molecular weight 234.26. It has CAS number 531-46-4. The compound is a light yellow to yellow solid powder. It should be stored as powder at -20°C for up to 3 years and in solvent at -80°C for up to 1 year. The compound is poorly soluble in DMSO (< 1 mg/mL).
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| Toxicity/Toxicokinetics |
Toxicological data for ML-090 are limited as it is a research compound. As a NOX1 inhibitor, potential toxicities may be related to the role of NOX1 in normal physiological processes. The compound should be handled with appropriate laboratory safety precautions. Standard preclinical safety assessments would be required for any therapeutic development.
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| References | |
| Additional Infomation |
6,11-Dihydroquinoxalino[2,3-b]quinoxaline is a quinoxaline derivative.
ML-090 (Fluoflavine) is a potent and selective NOX1 inhibitor with an IC50 of 90 nM. It shows >100-fold selectivity for NOX1 over NOX2, NOX3, and NOX4 (all IC50s > 10 μM). In HEK293 cells, ML-090 has an IC50 of 360 nM. The compound also inhibits xanthine oxidase with an IC50 of 3.5 μM. ML-090 is also known as Fluoflavine, Fluoflavin, CCG-44699, and NSC 179821. |
| Molecular Formula |
C14H10N4
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|---|---|
| Molecular Weight |
234.256
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| Exact Mass |
234.09
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| CAS # |
531-46-4
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| PubChem CID |
616479
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
477.5±33.0 °C at 760 mmHg
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| Flash Point |
242.6±25.4 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.711
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| LogP |
2.93
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
18
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| Complexity |
278
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)NC3=NC4=CC=CC=C4N=C3N2
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| InChi Key |
WGKYYZDYHYOKQV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H10N4/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,15,17)(H,16,18)
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| Chemical Name |
6,11-dihydroquinoxalino[2,3-b]quinoxaline
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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 :< 1 mg/mL
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2688 mL | 21.3438 mL | 42.6876 mL | |
| 5 mM | 0.8538 mL | 4.2688 mL | 8.5375 mL | |
| 10 mM | 0.4269 mL | 2.1344 mL | 4.2688 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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