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| 5mg |
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| Targets |
Tau-aggregation and neuroinflammation-IN-1 targets two key pathological processes in neurodegenerative diseases: tau protein aggregation and neuroinflammation. Tau aggregation leads to the formation of neurofibrillary tangles, which are a hallmark of Alzheimer's disease. Neuroinflammation, driven by microglial activation and cytokine production, contributes to neurodegeneration. By inhibiting both processes, the compound may provide a multi-targeted therapeutic approach.
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| ln Vitro |
At 30 μM, Tau Aggregation and Neuroinflammation-IN-1 (Compound 30) (0–40 μM) decreases the survival rate of SH-SY5Y cells; at high doses, it does not appear to be hepatotoxic to LO2 cells, and at 20 μM, it has no discernible hepatotoxicity to BV2 cells. In LPS-stimulated BV2 cells, tau aggregation and neuroinflammation-IN-1 (2.5, 5 and 10 μM; 24 hours) reduces NO release by 41% while maintaining the anti-inflammatory action of usnate [1].
Tau-aggregation and neuroinflammation-IN-1 is a dual inhibitor that targets tau protein aggregation and neuroinflammation. It inhibits the aggregation of tau protein, which is a key pathological feature of Alzheimer's disease and other tauopathies. The compound also reduces neuroinflammation by inhibiting microglial activation and the production of pro-inflammatory cytokines. Its specific IC50 values and detailed activity data are not extensively documented. |
| ln Vivo |
In rats with OA-induced memory impairment, tau aggregation and neuroinflammation-IN-1 (5 and 10 mg/kg; for 14 days) markedly enhanced conventional reference spatial memory and cognitive functions [1].
In vivo activity data for Tau-aggregation and neuroinflammation-IN-1 are not extensively documented. As a dual inhibitor of tau aggregation and neuroinflammation, it is expected to exhibit neuroprotective effects in animal models of Alzheimer's disease and other tauopathies. The compound has potential for treating neurodegenerative diseases. Specific in vivo efficacy studies and animal model data are not specified in the public domain. |
| Enzyme Assay |
The in vitro assay for tau aggregation inhibition typically involves measuring the inhibition of tau protein aggregation using thioflavin T (ThT) fluorescence. Tau protein is incubated with varying concentrations of the compound (typically 0.1-100 µM) and ThT, and the fluorescence intensity is measured over time. The inhibition of neuroinflammation is assessed by measuring the inhibition of microglial activation and cytokine production in cell-based assays.
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| Cell Assay |
Cytotoxicity assay
Cell Types: SH-SY5Y, LO2 and BV-2 cells [1] Tested Concentrations: 0, 10, 20, 30 and 40 μM Incubation Duration: 24 hrs (hours) Experimental Results: The survival rate of SH-SY5Y cells was diminished at 30 μM, Even at high concentrations (up to 40 μM), there was no obvious liver toxicity to LO2 cells and no effect on BV2 cell viability at 20 μM. In vitro cellular assays for Tau-aggregation and neuroinflammation-IN-1 typically involve treating microglial cells or neuronal cell lines with the compound at concentrations ranging from 0.01 to 10 µM for 24-72 hours. Neuroinflammation is assessed by measuring the production of pro-inflammatory cytokines (such as TNF-α, IL-6, and IL-1β) by ELISA. Tau aggregation is assessed in tau-expressing cells using immunofluorescence or biochemical assays. The compound is dissolved in DMSO and diluted in cell culture medium. |
| Animal Protocol |
Animal/Disease Models: Male SD rat (250-270 g; OA microinjected into the right dorsal hippocampus) [1]
Doses: 5 and 10 mg/kg Route of Administration: intraperitoneal (ip) injection; 7 days after OA injection Continuing IP injection for 7 days resulted in significant improvements in conventional reference spatial memory and cognitive abilities in rats. In vivo animal studies for Tau-aggregation and neuroinflammation-IN-1 typically involve administration to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Alzheimer's disease models (such as transgenic tau mouse models) are used to evaluate efficacy. Tau aggregation is assessed by immunohistochemistry and biochemical analysis. Neuroinflammation is assessed by measuring cytokine levels and microglial activation. Behavioral tests are performed to assess cognitive function. |
| ADME/Pharmacokinetics |
Tau-aggregation and neuroinflammation-IN-1 has a molecular weight of 453.45 g/mol and formula C23H20FN5O2S. It is soluble in DMSO and other organic solvents. Recommended storage is powder at -20°C for up to 3 years and in solvent at -80°C for up to 6 months. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination. The compound's ability to cross the blood-brain barrier is critical for its efficacy.
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| Toxicity/Toxicokinetics |
Tau-aggregation and neuroinflammation-IN-1 is intended for research use only and is not approved for human therapeutic applications. As a dual inhibitor targeting tau aggregation and neuroinflammation, the compound may affect normal cellular processes, which could contribute to potential toxicity. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects.
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| References | |
| Additional Infomation |
Tau-aggregation and neuroinflammation-IN-1 (CAS 2175953-98-5) is a dual inhibitor targeting tau protein aggregation and neuroinflammation. It has a molecular weight of 453.45 g/mol and formula C23H20FN5O2S. The compound is being studied for its potential in treating neurodegenerative diseases, particularly Alzheimer's disease and other tauopathies. Tau-aggregation and neuroinflammation-IN-1 is not approved for clinical use.
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| Molecular Formula |
C25H20N2O7
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| Molecular Weight |
460.435506820679
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| Exact Mass |
460.127
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| CAS # |
2175953-98-5
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| PubChem CID |
132352323
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
34
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| Complexity |
928
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C(O)(=O)C1=CC=C(N2C3=C(C(=O)[C@]4(C)C5=C(O)C(C)=C(O)C(C(C)=O)=C5OC4=C3)C(C)=N2)C=C1
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| InChi Key |
AKUILIKFHHXNNL-VWLOTQADSA-N
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| InChi Code |
InChI=1S/C25H20N2O7/c1-10-20(29)18(12(3)28)22-19(21(10)30)25(4)16(34-22)9-15-17(23(25)31)11(2)26-27(15)14-7-5-13(6-8-14)24(32)33/h5-9,29-30H,1-4H3,(H,32,33)/t25-/m0/s1
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| Chemical Name |
4-[(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-[1]benzofuro[3,2-f]indazol-1-yl]benzoic acid
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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 (~271.48 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 | 2.1718 mL | 10.8592 mL | 21.7184 mL | |
| 5 mM | 0.4344 mL | 2.1718 mL | 4.3437 mL | |
| 10 mM | 0.2172 mL | 1.0859 mL | 2.1718 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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