| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Targets |
The primary target of Abeta/tau aggregation-IN-3 is the beta-sheet structure of aggregated amyloidogenic proteins, particularly amyloid-beta (Abeta). The compound binds to soluble Abeta monomers or small oligomers, inhibiting their conversion into beta-sheet-rich fibrils and preventing the formation of toxic amyloid aggregates. Although named “Abeta/tau“ aggregation-IN-3, the specific activity against tau aggregation is not detailed in the available references, with the compound characterized primarily as an amyloid protein aggregation inhibitor.
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| ln Vitro |
In vitro, Abeta/tau aggregation-IN-3 is a potent inhibitor of amyloid protein aggregation, demonstrating an IC50 of 0.85 uM in the Abeta-thioflavin T (Abeta-ThT) functional aggregation assay. This potency is significantly higher than many other anti-amyloid compounds (e.g., QR-0217 has an IC50 of 7.5 uM), making Abeta/tau aggregation-IN-3 one of the more potent small-molecule inhibitors of Abeta aggregation reported in the literature. The compound has anti-amyloid activity and prevents the formation of beta-sheet-rich amyloid fibrils.
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| ln Vivo |
Abeta/tau aggregation-IN-3 is a potent amyloid aggregation inhibitor with an IC50 of 0.85 uM. The compound demonstrates anti-amyloid activity, suggesting potential for in vivo efficacy in reducing amyloid plaque burden and improving cognitive function in Alzheimer‘s disease models. However, specific in vivo activity data (e.g., efficacy in transgenic mouse models) is not provided in the available references, and the compound may be a relatively new or under-characterized research tool with limited published in vivo data.
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| Enzyme Assay |
The non-cellular activity of Abeta/tau aggregation-IN-3 is assessed using a thioflavin T (ThT)-based functional aggregation assay. Synthetic Abeta1-42 or Abeta1-40 (25 uM) is incubated with varying concentrations of Abeta/tau aggregation-IN-3 (e.g., 0.01-100 uM) in PBS (pH 7.4) at 37degC for 24-72 hours with continuous agitation. Thioflavin T is added to the samples, and fluorescence intensity (excitation 440 nm, emission 485 nm) is measured. The IC50 value of 0.85 uM is calculated from the dose-response curve at the time point of maximal aggregation (typically 24-48 hours). The IC50 represents the concentration required to inhibit 50% of amyloid fibril formation compared to the vehicle control.
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| Cell Assay |
For cellular assays, neuroblastoma cells (e.g., SH-SY5Y) or primary cortical neurons are exposed to pre-formed Abeta aggregates (10-25 uM, pre-aggregated at 37degC for 24-48 hours) in the presence or absence of Abeta/tau aggregation-IN-3 (0.1-10 uM). After 24-48 hours of incubation, cell viability is assessed by MTT or LDH release assays. Protection against Abeta-induced neurotoxicity indicates that the compound not only inhibits aggregation in a cell-free system but also prevents the formation of toxic aggregates that would otherwise cause neuronal cell death.
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| Animal Protocol |
No specific in vivo animal protocol for Abeta/tau aggregation-IN-3 is provided in the available references. For in vivo efficacy testing, the compound would be administered to a transgenic mouse model of Alzheimer's disease (e.g., APP/PS1, Tg2576, or 5xFAD mice) via oral gavage or intraperitoneal injection (e.g., 1-30 mg/kg/day) for a treatment period of 1-4 months. At the end of the study, mice would be sacrificed and brain tissue would be analyzed for amyloid plaque burden (Thioflavin S or 6E10 immunohistochemistry), soluble Abeta levels (by ELISA), and microglial activation (Iba1). Cognitive function would be assessed by Morris water maze or novel object recognition prior to sacrifice.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for Abeta/tau aggregation-IN-3 is not provided in the available references. As a small molecule with potent in vitro activity (IC50 = 0.85 uM), the compound would be expected to have drug-like properties suitable for in vivo administration. Key parameters for in vivo efficacy would include oral bioavailability, half-life (t1/2), brain-to-plasma ratio, and maximum concentration (Cmax). Without these data, the suitability of this compound for in vivo studies remains to be determined by the researcher.
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| Toxicity/Toxicokinetics |
No detailed toxicological data is provided for Abeta/tau aggregation-IN-3. As a potent amyloid aggregation inhibitor, potential toxicities would be determined in standard preclinical safety studies (e.g., single-dose and repeat-dose toxicity studies in rodents). The compound is intended for laboratory research use only and is not approved for human use. Standard laboratory safety precautions for handling small-molecule research chemicals should be followed, including the use of personal protective equipment (PPE) and working in a well-ventilated fume hood.
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| References | |
| Additional Infomation |
Abeta/tau aggregation-IN-3 is a potent anti-amyloid agent with a low micromolar IC50 (0.85 uM) for inhibition of Abeta aggregation. The compound demonstrates significant anti-amyloid activity in the Abeta-thioflavin T (Abeta-ThT) functional aggregation assay, making it a valuable research tool for studying the molecular mechanisms of amyloid formation and for screening potential Alzheimer‘s disease therapeutics. The compound's potency (IC50 = 0.85 uM) compares favorably to other anti-amyloid agents (e.g., QR-0217, IC50 = 7.5 uM), suggesting that Abeta/tau aggregation-IN-3 may be a more potent scaffold for the development of aggregation inhibitors. Despite its name, the specific activity of the compound against tau aggregation is not detailed in the available references, and the primary characterization is as an amyloid protein aggregation inhibitor. Researchers should confirm the compound's activity against tau aggregation experimentally if needed for their specific application.
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| Molecular Formula |
C23H22N4O3
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| Molecular Weight |
402.445785045624
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| Exact Mass |
402.169
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| CAS # |
1210750-32-5
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| PubChem CID |
44814403
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| Appearance |
Yellow to orange solid powder
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| LogP |
4.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
576
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3)C(=O)C4=CC=CC=C4
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| InChi Key |
JDMFOPZXRFVZSS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H22N4O3/c28-23(18-7-3-1-4-8-18)26-15-13-25(14-16-26)20-11-12-22(27(29)30)21(17-20)24-19-9-5-2-6-10-19/h1-12,17,24H,13-16H2
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| Chemical Name |
[4-(3-anilino-4-nitrophenyl)piperazin-1-yl]-phenylmethanone
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: 50 mg/mL (124.24 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 | 2.4848 mL | 12.4239 mL | 24.8478 mL | |
| 5 mM | 0.4970 mL | 2.4848 mL | 4.9696 mL | |
| 10 mM | 0.2485 mL | 1.2424 mL | 2.4848 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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