| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
The primary target of MAO-IN-1 is monoamine oxidase B (MAO-B), a flavin adenine dinucleotide (FAD)-containing enzyme located on the outer mitochondrial membrane. MAO-B catalyzes the oxidative deamination of biogenic amines, including dopamine, phenylethylamine, and benzylamine. By inhibiting MAO-B, MAO-IN-1 prevents the breakdown of dopamine, leading to increased dopamine levels in the brain. This mechanism is the basis for the use of MAO-B inhibitors in the treatment of Parkinson's disease, where dopamine levels are depleted. MAO-IN-1 is a potent and selective inhibitor of MAO-B, with an IC₅₀ of 20 nM, indicating that it is effective at very low concentrations. Its selectivity for MAO-B over MAO-A is an important feature for minimizing side effects.
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| ln Vitro |
MAO-IN-1 demonstrates potent in vitro activity as an inhibitor of MAO-B. Its IC₅₀ of 20 nM indicates that it is a highly potent inhibitor. In enzyme assays, the compound is incubated with MAO-B and a substrate (e.g., kynuramine or benzylamine), and the production of the deaminated product is measured. The IC₅₀ is determined from the dose-response curve. The compound's high potency and selectivity make it a valuable tool for studying the role of MAO-B in neurological disorders and for developing new therapeutic agents. Its physicochemical properties include a molecular weight of 322.78 g/mol and a LogP of 3.2.
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| ln Vivo |
In vivo activity data for MAO-IN-1 are not extensively documented in the available sources. As a potent MAO-B inhibitor, it is expected to exhibit neuroprotective and symptomatic effects in animal models of Parkinson's disease and other neurodegenerative disorders. MAO-B inhibitors have been shown to increase dopamine levels in the brain and improve motor function in animal models. However, detailed in vivo studies, including pharmacokinetics and efficacy in specific disease models, are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for MAO-IN-1 are performed to measure its inhibitory activity against MAO-B. A common assay uses a fluorogenic substrate, such as kynuramine, which is converted by MAO-B to 4-hydroxyquinoline, a fluorescent product. The compound is incubated with MAO-B and the substrate in a suitable buffer (e.g., 50 mM sodium phosphate, pH 7.4) at 37°C. The increase in fluorescence (excitation 318 nm, emission 380 nm) is measured over time. The IC₅₀ is calculated from the inhibition curve. To assess selectivity, the compound's activity against MAO-A can be measured using a similar assay with a different substrate (e.g., serotonin or tyramine).
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| Cell Assay |
In vitro cell-based assays for MAO-IN-1 are not typically performed, as the target is an enzyme. However, its effects on dopamine metabolism can be studied in cell lines or primary neurons. Cells are treated with the compound, and the levels of dopamine and its metabolites (e.g., DOPAC, HVA) are measured by HPLC. The compound's ability to increase dopamine levels and reduce metabolite levels is a measure of its MAO-B inhibitory activity. Neuroprotective effects can be assessed in models of oxidative stress or neurotoxicity.
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| Animal Protocol |
In vivo animal studies for MAO-IN-1 are typically conducted in models of Parkinson's disease, such as the MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) or 6-hydroxydopamine (6-OHDA) models in mice or rats. The compound is administered orally or intraperitoneally, and its effects on motor function (e.g., rotarod test, open field test) and dopamine levels in the striatum are measured. Neuroprotective effects are assessed by measuring the survival of dopaminergic neurons in the substantia nigra. These studies provide critical data on the compound's in vivo efficacy and its mechanism of action.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of MAO-IN-1 are not extensively documented. As a small molecule with a molecular weight of 322.78 g/mol and a LogP of 3.2, it is expected to have reasonable cell permeability and oral bioavailability. It is soluble in DMSO and can be formulated for in vivo administration. For research use, it is typically stored as a powder at -20°C. Detailed pharmacokinetic parameters, such as half-life, clearance, and volume of distribution, would need to be determined in standard preclinical studies.
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| Toxicity/Toxicokinetics |
The toxicological profile of MAO-IN-1 is not extensively documented. As a potent MAO-B inhibitor, its potential toxicity is likely related to its on-target effects on dopamine metabolism. Excessive dopamine levels can cause side effects, including nausea, dizziness, and psychiatric symptoms. Off-target effects on other enzymes or receptors could also contribute to toxicity. For laboratory handling, standard safety precautions for research chemicals should be observed, including the use of personal protective equipment (gloves, lab coat, safety goggles). The compound is intended for research use only and is not for human therapeutic or diagnostic use.
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| References | |
| Additional Infomation |
MAO-IN-1 is a potent monoamine oxidase B (MAO-B) inhibitor with an IC₅₀ of 20 nM. It has a molecular formula of C₁₇H₁₉ClO₄ and a molecular weight of approximately 322.78 g/mol. Its IUPAC name is (2S)-1-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-methoxypropan-2-ol. MAO-IN-1 is of interest for the study of neurologically related diseases. It is supplied as a solid powder with a purity of ≥98%. The compound is for research use only.
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| Molecular Formula |
C17H19CLO4
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| Molecular Weight |
322.783364534378
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| Exact Mass |
322.097
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| CAS # |
124991-40-8
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| PubChem CID |
14456560
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
22
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| Complexity |
294
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O[C@@H](COC)COC1=CC=C(OCC2=CC=CC(Cl)=C2)C=C1
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| InChi Key |
OTDRIRFHGNXOBO-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C17H19ClO4/c1-20-11-15(19)12-22-17-7-5-16(6-8-17)21-10-13-3-2-4-14(18)9-13/h2-9,15,19H,10-12H2,1H3/t15-/m0/s1
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| Chemical Name |
(2S)-1-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-methoxypropan-2-ol
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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 | 3.0981 mL | 15.4904 mL | 30.9809 mL | |
| 5 mM | 0.6196 mL | 3.0981 mL | 6.1962 mL | |
| 10 mM | 0.3098 mL | 1.5490 mL | 3.0981 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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