| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
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| Other Sizes |
| Targets |
MAO-B 15.3 μM (IC50) MAO-B 9.91 μM (Ki)
1-Methyl-2-undecyl-4(1H)-quinolone targets monoamine oxidase B (MAO-B). It acts as a potent, irreversible, and selective inhibitor of this enzyme. It exhibits no inhibitory effect on MAO-A. By selectively inhibiting MAO-B, it can modulate dopamine metabolism without significantly affecting serotonin or norepinephrine levels, making it useful for studying the specific role of MAO-B in the brain. |
|---|---|
| ln Vitro |
1-Methyl-2-undecyl-4(1H)-quinolone did not inhibit type A MAO (MAO-A) activity, but it selectively inhibits MAO-B activity, with IC50 and Ki values of 15.3 μM and 9.91 μM, respectively[2].
In vitro, 1-Methyl-2-undecyl-4(1H)-quinolone selectively inhibits MAO-B with an IC50 of 15.3 μM and a Ki of 9.91 μM. It does not inhibit MAO-A activity. This high selectivity makes it a valuable pharmacological tool for dissecting the distinct functions of MAO-A and MAO-B in cellular and tissue-based studies. |
| ln Vivo |
In vivo, 1-Methyl-2-undecyl-4(1H)-quinolone is used to study the consequences of selective MAO-B inhibition. By irreversibly blocking MAO-B, it can increase dopamine levels in the brain, which has implications for understanding and treating neurodegenerative disorders like Parkinson's disease. However, detailed in vivo data are not provided in the search results.
|
| Enzyme Assay |
Non-cell-based assays for 1-Methyl-2-undecyl-4(1H)-quinolone involve incubating the compound with MAO-B enzyme and a specific substrate. The enzymatic activity is measured by monitoring the production of a reaction product. The compound's IC50 (15.3 μM) and Ki (9.91 μM) values are determined from these inhibition curves. Its selectivity is confirmed by testing it against MAO-A, against which it shows no activity.
|
| Cell Assay |
For in vitro cellular assays, 1-Methyl-2-undecyl-4(1H)-quinolone can be used to treat cell lines that express MAO-B. The effect of the compound on cellular monoamine metabolism can be assessed by measuring the levels of dopamine and its metabolites. This helps to confirm its activity and selectivity in a more complex biological environment.
|
| Animal Protocol |
In vivo animal studies with 1-Methyl-2-undecyl-4(1H)-quinolone would involve administering the compound to rodents and then assessing its effects on brain monoamine levels and related behaviors. For instance, its ability to protect against neurotoxins that are metabolized by MAO-B could be evaluated in models of Parkinson's disease.
|
| ADME/Pharmacokinetics |
1-Methyl-2-undecyl-4(1H)-quinolone has a molecular weight of 313.49 g/mol and a molecular formula of C21H31NO. It is a quinolone alkaloid. It appears as a solid with a purity of ≥98%. It should be stored under recommended conditions, typically at -20°C, and is for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of 1-Methyl-2-undecyl-4(1H)-quinolone is not extensively detailed. As an irreversible MAO-B inhibitor, its toxicity would be related to its pharmacological activity and potential for off-target effects. Standard toxicological evaluation would be required for any potential therapeutic development. It is intended for research use only.
|
| References | |
| Additional Infomation |
Reports indicate that rue contains 1-methyl-2-undecylquinoline-4(1H)-one, and relevant data is available for reference.
1-Methyl-2-undecyl-4(1H)-quinolone (CAS#: 59443-02-6) is a natural product-based, potent, irreversible, and selective MAO-B inhibitor. Its high selectivity for MAO-B over MAO-A makes it a key pharmacological tool for studying the distinct functions of MAO isoforms. It is used in research related to neurodegenerative disorders and other conditions where MAO-B plays a significant role. |
| Molecular Formula |
C21H31NO
|
|---|---|
| Molecular Weight |
313.48
|
| Exact Mass |
313.24
|
| CAS # |
59443-02-6
|
| PubChem CID |
5319811
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
419.9±45.0 °C at 760 mmHg
|
| Flash Point |
141.0±18.1 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.519
|
| LogP |
7.16
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
23
|
| Complexity |
387
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CN1C2C(=CC=CC=2)C(=O)C=C1CCCCCCCCCCC
|
| InChi Key |
ZLIHBZFNMQLPOT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3
|
| Chemical Name |
1-methyl-2-undecylquinolin-4-one
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 3.1900 mL | 15.9500 mL | 31.9000 mL | |
| 5 mM | 0.6380 mL | 3.1900 mL | 6.3800 mL | |
| 10 mM | 0.3190 mL | 1.5950 mL | 3.1900 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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