| Size | Price | Stock | Qty |
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| Targets |
ALDH1 AChE
α-NETA targets choline acetyltransferase (ChA), ALDH1A1, and chemokine-like receptor 1 (CMKLR1). It is a potent and noncompetitive ChA inhibitor with an IC50 of 9 μM. It is a potent ALDH1A1 inhibitor (IC50=0.04 µM) and a CMKLR1 antagonist. |
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| ln Vitro |
In a dose-dependent way, α-NETA (50-150 nM; 24 hours) decreases the viability of all cell lines [3]. Membrane blebbing and cytoplasmic leaking are linked to the cell death of epithelial ovarian cancer (EOC) caused by α-NETA (2.5–10.0 μg/mL; 24 hours) [3]. In EOC cells, treatment with α-NETA leads to an upregulation of proteins associated to pyroptosis [3]. The purified enzyme assay of aldehyde dehydrogenase 1 family member A1 (ALDH1A1; IC50 = 0.04 μM) and G9a histone lysine amino acid methyltransferase (IC50 = 0.50 μM) are the next enzymes that are potently inhibited by α-NETA. The other enzymes are CMKLR1 (IC50 = 0.375 μM: β-ARR2 recruitment; cell-based test) and. α-NETA specifically prevents CMKLR1 from binding to β-arrestin2 when Chemerin is present [2]. α-NETA exhibits naphthyl fluorescence characteristics, with maximum emission at 437 nm and maximum excitation at 255 and 297 nm [1].
In cell-free enzyme assays, α-NETA inhibits ChA with an IC50 of 9 μM and ALDH1A1 with an IC50 of 0.04 µM. It acts as a noncompetitive inhibitor of ChA. These assays confirm its multi-target inhibitory profile. Its anti-cancer activity is of interest. Cellular assays for α-NETA demonstrate its anti-cancer activity. It reduces the clonogenicity and viability of neuroblastoma cell lines. It also induces dose-dependent decreases in body weight and fasting blood glucose levels in STZ-induced diabetic mice, and significantly reduces the expression of kidney injury markers. |
| ln Vivo |
For 20 days, α-NETA (ip; 0.125 mg/kg; once every other day) dramatically lowered tumor weight and volume[3]. A 30 day course of α-NETA (sc injection; 3 mg/kg or 10 mg/kg; daily) at a dose of 3 mg/kg caused an average of 9 days before clinical symptoms were totally suppressed at a dose of 10 mg/kg[2].
In vivo, α-NETA has been studied for its effects on diabetes and cancer. It induces dose-dependent decreases in body weight and fasting blood glucose levels in STZ-induced diabetic mice, and significantly reduces the expression of kidney injury markers, suggesting a potential role in diabetic nephropathy research. Its anti-cancer activity is also of interest. |
| Enzyme Assay |
Cell-free enzyme inhibition assays for α-NETA are performed using purified ChA and ALDH1A1 enzymes. Each enzyme is incubated with varying concentrations of the compound and a substrate. The rate of product formation is measured, and the IC50 values are determined from the inhibition curves.
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| Cell Assay |
Cell Viability Assay[3]
Cell Types: Ho8910, Ho8910PM, A2780, and Iose80 cells Tested Tested Concentrations: 50, 100, 150 nM Incubation Duration: 24 hrs (hours) Experimental Results: diminished all cell lines viability in a dose-dependent manner. Apoptosis Analysis[3] Cell Types: Epithelial ovarian cancer (EOC) cell Tested Tested Concentrations: 2.5, 7.5, 10.0 µg/mL Incubation Duration: 24 hrs (hours) Experimental Results: Led to EOC cell death associated with membrane blistering and cytoplasm leakage. Cellular assays for α-NETA are conducted using cancer cell lines, such as neuroblastoma cells. Cells are treated with the compound, and cell viability, clonogenicity, and markers of apoptosis are assessed. Its effects on glucose metabolism and kidney injury markers can be studied in relevant cell models. |
| Animal Protocol |
Animal/Disease Models: BALB/c nude mice with skov3 cells[3]
Doses: 0.125 mg/kg Route of Administration: IP; once every other day for 20 days Experimental Results: Dramatically diminished tumor volume and tumor weight. In vivo studies on α-NETA are conducted in animal models of diabetes and cancer. The compound is administered, and its effects on body weight, blood glucose, kidney injury markers, and tumor growth are assessed. |
| ADME/Pharmacokinetics |
The pharmacokinetic properties of α-NETA are not extensively reported. As a small molecule, it is expected to be absorbed and distributed. Its half-life and bioavailability would need to be characterized for therapeutic development.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for α-NETA are limited. Its effects on body weight in diabetic mice suggest some metabolic effects. Comprehensive toxicological studies would be required for therapeutic development.
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| References |
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| Additional Infomation |
α-NETA is a research compound with potential applications in cancer research and diabetic nephropathy. Its multi-target mechanism of action, including ChA, ALDH1A1, and CMKLR1 inhibition, makes it a valuable tool for studying these pathways. It is not approved for clinical use.
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| Molecular Formula |
C16H20INO
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|---|---|
| Molecular Weight |
369.24057674408
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| Exact Mass |
369.058
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| CAS # |
115066-04-1
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| PubChem CID |
11957648
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
19
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| Complexity |
292
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1=CC=CC2=CC=CC=C12)(=O)CC[N+](C)(C)C.[I-]
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| InChi Key |
QZXMJYVXMZJOAO-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C16H20NO.HI/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15;/h4-10H,11-12H2,1-3H3;1H/q+1;/p-1
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| Chemical Name |
trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium;iodide
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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: 83.33 mg/mL (225.68 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.63 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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: ≥ 2.08 mg/mL (5.63 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.63 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7083 mL | 13.5413 mL | 27.0827 mL | |
| 5 mM | 0.5417 mL | 2.7083 mL | 5.4165 mL | |
| 10 mM | 0.2708 mL | 1.3541 mL | 2.7083 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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