| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
MAO-B (monoamine oxidase B) and BChE (butyrylcholinesterase).
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|---|---|
| ln Vitro |
MAO-B-IN-2 inhibits MAO-B and BChE with IC50 values of 0.51 μM and 7.00 μM, respectively. This dual inhibition, combined with its antioxidant properties, makes it a multi-functional compound with potential applications in diseases involving oxidative stress and cholinergic dysfunction.
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| ln Vivo |
The compound's strong ROS scavenging properties contribute to its ability to attenuate H2O2-induced cellular damage. This suggests that in vivo, it may offer neuroprotective effects by reducing oxidative stress. Its dual inhibition of MAO-B and BChE could also modulate neurotransmitter levels and improve cognitive function.
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| Enzyme Assay |
In vitro enzyme assays are performed to determine the inhibitory activity of MAO-B-IN-2 against MAO-B and BChE. The enzymes are incubated with their respective substrates and varying concentrations of the compound. The inhibition of enzyme activity is measured, and IC50 values are calculated from the concentration-response curves.
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| Cell Assay |
Cells (e.g., neuronal cell lines) are treated with MAO-B-IN-2 to assess its cellular effects. The compound's ability to inhibit MAO-B and BChE activity in intact cells is measured by monitoring the metabolism of specific substrates. Its protective effects against oxidative stress are evaluated by measuring cell viability and ROS levels following H2O2 exposure.
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| Animal Protocol |
In vivo studies are conducted in animal models of neurodegenerative diseases, such as Parkinson's or Alzheimer's disease, to evaluate the therapeutic potential of MAO-B-IN-2. Its effects on motor function, cognitive performance, and neuropathological markers are assessed following systemic administration.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data are publicly available for MAO-B-IN-2. As a small molecule with potential CNS activity, its ADME properties would be evaluated in standard preclinical PK studies to determine oral bioavailability, half-life, and brain penetration, guiding in vivo dosing regimens.
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| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available. However, its antioxidant properties and dual enzyme inhibition suggest a potentially favorable safety profile compared to more selective or less multifunctional inhibitors. Standard toxicology studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
MAO-B-IN-2 is a multi-target-directed ligand (MTDL) that inhibits MAO-B and BChE while also scavenging ROS. This combination of activities makes it a promising compound for the treatment of complex neurodegenerative diseases like Alzheimer's, where multiple pathological mechanisms are involved. It is a research tool and not approved for clinical use.
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| Molecular Formula |
C18H11CLO3
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|---|---|
| Molecular Weight |
310.73
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| Exact Mass |
310.039
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| CAS # |
1253978-24-3
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| PubChem CID |
8828981
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| Appearance |
White to yellow solid powder
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| LogP |
4.5
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
509
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(=O)OC2=CC=CC=C2C=C1C(=O)/C=C/C1=CC=CC=C1Cl
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| InChi Key |
TVTIXYCYMBPAFW-MDZDMXLPSA-N
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| InChi Code |
InChI=1S/C18H11ClO3/c19-15-7-3-1-5-12(15)9-10-16(20)14-11-13-6-2-4-8-17(13)22-18(14)21/h1-11H/b10-9+
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| Chemical Name |
3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]chromen-2-one
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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: 10 mg/mL (32.18 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 0.5 mg/mL (1.61 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 5.0 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. Solubility in Formulation 2: ≥ 0.5 mg/mL (1.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 5.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2182 mL | 16.0911 mL | 32.1823 mL | |
| 5 mM | 0.6436 mL | 3.2182 mL | 6.4365 mL | |
| 10 mM | 0.3218 mL | 1.6091 mL | 3.2182 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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