| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
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| Targets |
Catechol-O-methyltransferase (COMT). Ro 41-0960 is a selective inhibitor of COMT, an enzyme that catalyzes the methylation of catecholamines such as dopamine, norepinephrine, and epinephrine. By inhibiting COMT, Ro 41-0960 reduces dopamine catabolism and increases dopamine levels in the brain. The compound binds to the catalytic site of the enzyme.
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| ln Vitro |
Ro 41-0960 inhibits COMT activity in vitro, reducing the methylation of catecholamine substrates. It induces apoptosis, inhibits proliferation, and inhibits extracellular matrix formation in uterine fibroid cells. The compound's selectivity for COMT over other enzymes has been characterized in various enzyme assays.
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| ln Vivo |
In vivo, Ro 41-0960 acts as a brain-penetrant COMT inhibitor in male Wistar rats, producing significant increases in striatal dopamine (DA) and DOPAC content and marked reductions in striatal HVA content. At 20 mg/kg administered intraperitoneally once daily for 5 days, the compound effectively inhibits COMT in the brain. It reduces dopamine catabolism and increases dopamine levels.
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| Enzyme Assay |
In vitro COMT inhibition assays for Ro 41-0960 involve measuring COMT activity in the presence of varying concentrations of the compound. The enzyme is incubated with a catecholamine substrate (such as dopamine or epinephrine) and S-adenosylmethionine (SAM) as the methyl donor. The formation of the methylated product is measured using HPLC or radiometric methods. IC50 values are determined from dose-response curves.
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| Cell Assay |
Cellular assays for Ro 41-0960 involve culturing uterine fibroid cells or neuronal cells. Cells are treated with Ro 41-0960 at varying concentrations (typically 1-100 µM) for 24-72 hours. Apoptosis is assessed by annexin V staining or caspase activity assays. Cell proliferation is measured using MTT or BrdU incorporation assays. Extracellular matrix formation is assessed by measuring collagen or fibronectin production.
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| Animal Protocol |
In vivo animal studies for Ro 41-0960 are conducted in male Wistar rats. The compound is typically administered intraperitoneally at 20 mg/kg once daily for 5 days. Striatal dopamine, DOPAC, and HVA levels are measured using HPLC with electrochemical detection. The compound's effects on behavior and motor function may also be assessed.
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| ADME/Pharmacokinetics |
Ro 41-0960 has a molecular weight of 277.20 g/mol and a molecular formula of C13H8FNO5. It is soluble in DMSO and should be stored at -20°C. The compound is available with a purity of ≥95%. It is a CNS-penetrant compound that can cross the blood-brain barrier. Detailed pharmacokinetic parameters have been characterized in animal studies.
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| Toxicity/Toxicokinetics |
Ro 41-0960 is generally considered safe for research use at appropriate concentrations. Comprehensive toxicological data are limited. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety precautions should be taken when handling the compound.
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| References | |
| Additional Infomation |
Ro 41-0960 is a CNS-penetrant, orally active, and selective inhibitor of catechol-O-methyltransferase (COMT). It reduces dopamine catabolism and increases striatal dopamine levels. The compound is used as a research tool to study COMT function and dopamine metabolism. It is not approved for clinical use and is available for research purposes only.
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| Molecular Formula |
C13H8NO5F
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|---|---|
| Molecular Weight |
277.20472
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| Exact Mass |
277.039
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| CAS # |
125628-97-9
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| PubChem CID |
3495594
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.536g/cm3
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| Boiling Point |
489.9ºC at 760 mmHg
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| Flash Point |
250.1ºC
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| Vapour Pressure |
3.2E-10mmHg at 25°C
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| Index of Refraction |
1.656
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| LogP |
2.899
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
385
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
RQPAUNZYTYHKHA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
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| Chemical Name |
(3,4-dihydroxy-5-nitrophenyl)-(2-fluorophenyl)methanone
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.6075 mL | 18.0375 mL | 36.0750 mL | |
| 5 mM | 0.7215 mL | 3.6075 mL | 7.2150 mL | |
| 10 mM | 0.3608 mL | 1.8038 mL | 3.6075 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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