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| Targets |
Nebicapone targets catechol-O-methyltransferase (COMT), an enzyme that catalyzes the O-methylation of catecholamines and other catechol-containing compounds. By inhibiting COMT, Nebicapone increases the bioavailability of levodopa and other catecholamines. This mechanism is beneficial in Parkinson's disease, where it can enhance the efficacy of levodopa therapy and reduce motor fluctuations.
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| ln Vitro |
Nebicapone is a potent and selective inhibitor of COMT in vitro. It inhibits COMT activity, preventing the breakdown of catecholamines. The compound's selectivity for COMT over other enzymes contributes to its pharmacological profile. Specific in vitro data, including IC50 values and detailed assay conditions, are not extensively provided in the available literature.
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| ln Vivo |
Nebicapone has been studied for its effects on levodopa pharmacokinetics, COMT activity, and motor fluctuations in patients with Parkinson's disease. By inhibiting COMT, it increases the bioavailability of levodopa, leading to improved motor function and reduced fluctuations. Specific in vivo efficacy data, including dosing regimens and clinical trial results, are not extensively provided in the available literature.
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| Enzyme Assay |
In vitro enzyme assays for Nebicapone involve measuring COMT activity. COMT enzyme is incubated with a catechol substrate (e.g., dopamine, epinephrine) and S-adenosylmethionine (SAM) as the methyl donor in the presence of varying concentrations of Nebicapone. Methylated products are quantified by HPLC or radiometric assays. IC50 values are calculated from concentration-response curves.
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| Cell Assay |
For in vitro cell-based assays, cells expressing COMT are cultured and treated with Nebicapone at various concentrations. COMT activity is measured in cell lysates using standard assays. Catecholamine levels are measured by HPLC. Cell viability is assessed using standard assays. The compound's effects on catecholamine metabolism can be studied in neuronal cell lines.
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| Animal Protocol |
In vivo animal studies for Nebicapone would typically use rodent or primate models of Parkinson's disease. The compound is administered orally or intraperitoneally at doses determined from pharmacokinetic studies. Levodopa is co-administered, and motor function is assessed using behavioral tests. COMT activity is measured in plasma or tissues. Levodopa and its metabolites are measured by HPLC.
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| ADME/Pharmacokinetics |
Nebicapone has a molecular formula of C14H11NO5 and a molecular weight of 273.24. It is a small molecule COMT inhibitor. Detailed pharmacokinetic parameters (absorption, distribution, metabolism, excretion, half-life, bioavailability) are not extensively characterized in the available literature. The compound has been studied in clinical trials as an adjunct to levodopa therapy.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Nebicapone are not extensively provided in the available literature. As a COMT inhibitor, it would be expected to have a safety profile related to modulation of catecholamine metabolism. The compound has been studied in clinical trials for Parkinson's disease. Standard toxicology assessments would be required for therapeutic development.
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| References | |
| Additional Infomation |
Nebicapone is being studied in clinical trial NCT03097211 (BIA 6-512 Effect of steady-state levodopa pharmacokinetics, single dose of levodopa/benserazide 200/50 mg or single dose of levodopa/benserazide 200/50 mg plus single dose of nebicapone 150 mg).
Nebicapone (BIA 3-202) is a potent and selective inhibitor of catechol-O-methyltransferase (COMT). COMT plays a crucial role in the metabolism of catecholamines such as dopamine, norepinephrine, and epinephrine. Nebicapone has been studied as an adjunct to levodopa therapy in Parkinson's disease to enhance its efficacy and reduce motor fluctuations. No approved therapeutic status is reported. |
| Molecular Formula |
C14H11NO5
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|---|---|
| Molecular Weight |
273.244
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| Exact Mass |
273.064
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| CAS # |
274925-86-9
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| PubChem CID |
9838389
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.954
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
20
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| Complexity |
361
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
MRFOLGFFTUGAEB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2
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| Chemical Name |
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone
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| Synonyms |
BIA 3202; BIA-3202; Nebicapone
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ≥ 100 mg/mL (~365.98 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.15 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6598 mL | 18.2989 mL | 36.5979 mL | |
| 5 mM | 0.7320 mL | 3.6598 mL | 7.3196 mL | |
| 10 mM | 0.3660 mL | 1.8299 mL | 3.6598 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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