| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
TAE-1 targets multiple Alzheimer's disease-related pathways. It inhibits acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE), enzymes that hydrolyze acetylcholine. By inhibiting these enzymes, TAE-1 increases acetylcholine levels in the brain. It also inhibits amyloid-β (Aβ42) fibril formation and aggregation when used at a concentration of 20 µM.
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| ln Vitro |
In vitro, TAE-1 is a potent inhibitor of AChE and BuChE with IC₅₀ values of 0.3 μM and 3.9 μM, respectively. It inhibits amyloid-β (1-42) fibrillization when used at a concentration of 20 µM. TAE-1 inhibits amyloid-β fibril formation and aggregation. It has diverse biological activities.
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| ln Vivo |
In vivo, TAE-1 could be used in Alzheimer's disease (AD) research. As a dual inhibitor of cholinesterases and amyloid-β aggregation, it has potential for the treatment of Alzheimer's disease. Detailed in vivo data regarding dosage, administration routes, and specific efficacy endpoints are limited in the available literature.
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| Enzyme Assay |
TAE-1's enzyme inhibition activity has been characterized using standard cholinesterase assays. AChE and BuChE inhibition assays typically involve incubating the compound with the enzyme and a chromogenic substrate such as acetylthiocholine. The production of thiocholine is measured spectrophotometrically.
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| Cell Assay |
In vitro cell experiments with TAE-1 involve treating neuronal cells with the compound and assessing its effects on cholinesterase activity, amyloid-β aggregation, and neuroprotection. The compound's ability to inhibit Aβ fibril formation can be assessed using Thioflavin T fluorescence assays.
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| Animal Protocol |
In vivo animal studies with TAE-1 have been conducted using Alzheimer's disease models. The compound is typically administered via injection or oral gavage. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to TAE-1 are limited in the available literature. As a large molecule with a molecular weight of 1128.57 g/mol, the compound may have limited oral bioavailability. Further pharmacokinetic studies are needed.
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| Toxicity/Toxicokinetics |
TAE-1 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| Additional Infomation |
TAE-1 has a molecular formula of C₃₉H₅₁I₃N₆O₉ and a molecular weight of 1128.57 g/mol. It is an inhibitor of amyloid-β fibril formation and aggregation and inhibits cholinesterases AChE and BuChE with IC₅₀ values of 0.3 μM and 3.9 μM, respectively. It could be used in Alzheimer's disease research.
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| Molecular Formula |
C39H51I3N6O9
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|---|---|
| Molecular Weight |
1128.57046723366
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| Exact Mass |
1128.085
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| Elemental Analysis |
C, 41.51; H, 4.56; I, 33.73; N, 7.45; O, 12.76
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| CAS # |
1414469-59-2
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| Related CAS # |
1414836-54-6 (cation);1414469-59-2 (iodide);
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| PubChem CID |
91885432
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
57
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| Complexity |
1010
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[I-].[I-].[I-].N1C(OC2C=CC(C(OCC[N+](C)(C)C)=O)=CC=2)=NC(OC2C=CC(C(OCC[N+](C)(C)C)=O)=CC=2)=NC=1OC1C=CC(C(OCC[N+](C)(C)C)=O)=CC=1
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| InChi Key |
SGOMELGTKOLYEZ-UHFFFAOYSA-K
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| InChi Code |
InChI=1S/C39H51N6O9.3HI/c1-43(2,3)22-25-49-34(46)28-10-16-31(17-11-28)52-37-40-38(53-32-18-12-29(13-19-32)35(47)50-26-23-44(4,5)6)42-39(41-37)54-33-20-14-30(15-21-33)36(48)51-27-24-45(7,8)9;;;/h10-21H,22-27H2,1-9H3;3*1H/q+3;;;/p-3
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| Chemical Name |
2-[4-[[4,6-bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium;triiodide
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| Synonyms |
TAE-1 Iodide; TAE-1; TAE1; TAE 1;
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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 : ~125 mg/mL (~110.76 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 | 0.8861 mL | 4.4304 mL | 8.8608 mL | |
| 5 mM | 0.1772 mL | 0.8861 mL | 1.7722 mL | |
| 10 mM | 0.0886 mL | 0.4430 mL | 0.8861 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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