| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
AChE 0.176 μM (IC50) BChE 0.47 μM (IC50)
AChE/BChE-IN-10 targets both acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. It inhibits AChE in a non-competitive manner with a Ki of 0.21 μM, and BChE in a mixed-fashion with a Ki of 0.15 μM. The compound also targets the AChE receptor (AChR) and has been shown to inhibit the aggregation of amyloid-beta (Aβ) peptides. |
|---|---|
| ln Vitro |
AChE/BChE-IN-10 inhibits BChE in a mixed-fashion with a Ki of 0.15 μM and AChE in a non-competitive manner with a Ki of 0.21 μM[1].
In cell-free enzyme assays, AChE/BChE-IN-10 is a highly potent dual inhibitor. It exhibits IC50 values of 0.176 μM for AChE and 0.47 μM for BChE. The compound's mechanism of inhibition is non-competitive for AChE (Ki = 0.21 μM) and mixed-type for BChE (Ki = 0.15 μM). These assays confirm its strong affinity and inhibitory capacity against both cholinesterase enzymes. While specific cellular assay data are limited, the compound's ability to inhibit Aβ aggregation suggests it can modulate key pathological processes in Alzheimer's disease at the cellular level. Its good blood-brain barrier permeability indicates it can reach its targets in the central nervous system. The compound's dual inhibition of AChE and BChE would be expected to increase acetylcholine levels in neuronal synapses. |
| ln Vivo |
In vivo studies on AChE/BChE-IN-10 are not extensively detailed in the available literature. However, its good blood-brain barrier permeability and ability to inhibit Aβ aggregation suggest it has the potential for in vivo efficacy in Alzheimer's disease models. The compound is primarily characterized in vitro, and further in vivo studies would be required to confirm its therapeutic potential.
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| Enzyme Assay |
Cell-free enzyme inhibition assays for AChE/BChE-IN-10 are performed using purified AChE and BChE enzymes. The enzyme is incubated with varying concentrations of the compound and a chromogenic substrate, such as acetylthiocholine for AChE and butyrylthiocholine for BChE. The rate of substrate hydrolysis is measured spectrophotometrically, and IC50 and Ki values are determined from the inhibition curves.
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| Cell Assay |
Cellular assays for AChE/BChE-IN-10 could be conducted using neuronal cell lines or primary neurons. Cells would be treated with the compound, and markers of cholinergic function, such as acetylcholine levels, could be measured. Additionally, the compound's ability to reduce Aβ aggregation could be assessed in cell models that overexpress amyloid precursor protein.
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| Animal Protocol |
In vivo animal studies for AChE/BChE-IN-10 are not reported in the available literature. For Alzheimer's disease research, such studies would typically involve administering the compound to transgenic mouse models of AD and assessing its effects on cognitive function, Aβ plaque load, and cholinergic markers. The compound's blood-brain barrier permeability makes it a suitable candidate for such studies.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of AChE/BChE-IN-10 indicate good blood-brain barrier permeability. This is a critical feature for central nervous system drug candidates. Detailed pharmacokinetic parameters such as oral bioavailability, half-life, and tissue distribution have not been extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for AChE/BChE-IN-10 are not available in the provided search results. As a research compound, comprehensive toxicological evaluations would be necessary for its development as a therapeutic agent. The compound is intended for laboratory research use only.
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| References | |
| Additional Infomation |
AChE/BChE-IN-10 is a research compound with potential applications in Alzheimer's disease research. Its multi-targeted mechanism of action, including dual AChE/BChE inhibition and Aβ anti-aggregation activity, makes it a valuable tool for studying the pathophysiology of AD and for the development of novel therapeutic strategies. It is not approved for clinical use.
|
| Molecular Formula |
C26H30N2O2
|
|---|---|
| Molecular Weight |
402.528606891632
|
| Exact Mass |
402.23
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| CAS # |
2924824-48-4
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| PubChem CID |
162671509
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| Appearance |
White to off-white solid powder
|
| LogP |
5.1
|
| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
30
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| Complexity |
525
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C1C=CC2C=C(C=CC=2C=1)OC)NCCC1CCN(CC2C=CC=CC=2)CC1
|
| InChi Key |
AIIWJMPOAUNFLG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H30N2O2/c1-30-25-10-9-22-17-24(8-7-23(22)18-25)26(29)27-14-11-20-12-15-28(16-13-20)19-21-5-3-2-4-6-21/h2-10,17-18,20H,11-16,19H2,1H3,(H,27,29)
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| Chemical Name |
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
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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) |
DMSO: 25 mg/mL (62.11 mM)
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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 | 2.4843 mL | 12.4214 mL | 24.8429 mL | |
| 5 mM | 0.4969 mL | 2.4843 mL | 4.9686 mL | |
| 10 mM | 0.2484 mL | 1.2421 mL | 2.4843 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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