Physicochemical Properties
| Molecular Formula | C22H24N4O2S |
| Molecular Weight | 408.52 |
| Appearance | Typically exists as solid at room temperature |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | hAChE 0.113 μM (IC50) hBACE-1 0.38 μM (IC50) hBCHE 1.48 μM (IC50) |
| ln Vitro | In the SH-SY5Y neuroblastoma cell line, the safety profile of hAChE/hBACE-1-IN-2 (compound 5f) (10-80 μM, 72 h) is thought to be comparable to that of donepezil [1]. Compound 5f (hAChE/hBACE-1-IN-2; 20 μM; 48 h, 72 h) has the ability to withstand the aggregation potential of Aβ1-42 in the neuroblastoma cell line SH-SY5Y [1] |
| ln Vivo | hAChE/hBACE-1-IN-2 (2.5–10 mg/kg, oral, 14 days) alleviates RTL and splay in a mouse model of arm time cognitive impairments caused by scopolatin (HY-N0296)[1]. In Swiss albino mice, hAChE/hBACE-1-IN-2 (500 mg/kg, oral, 14 days) was well tolerated and showed no signs of toxicity, such as abnormalities in the liver, kidneys, heart, or brain [1]. 10 mg/kg oral hAChE/hBACE-1-IN-2 for 14 days reduces AchE levels in the hippocampus and cortical brain homogenates in a mouse model of Scopolamine (HY-N0296) or substrate hydrolysis, has the ability to postpone oxidative stress, and lowers levels of pro-inflammatory cytokines [1]. It also passes the blood-brain barrier. In Aβ-induced models, hAChE/hBACE-1-IN-2 (10 mg/kg, oral, 14 days) preserves brain tissue in several brain regions by inhibiting the levels of BACE-1, Aβ, APP/Aβ, and tau protein [1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: SH-SY5Y cell lines(The SH-SY5Y cells were sequentially treated with RA and BDNF for 6 days) Tested Concentrations: 10, 20, 40, and 80 μM Incubation Duration: 48-72 h Experimental Results: Indicated a similar reduction in the differentiated neuroblastoma cell population at a maximum 80 μM concentration. Cell Viability Assay[1] Cell Types: Aβ1-42 treated SH-SY5Y cells(incubated with Aβ1-42(10μM) for 24 h) Tested Concentrations: 20 μM Incubation Duration: 48-72 h Experimental Results: The cells incubated the cell viability to 65% and 75% after 48 h and 72 h. |
| Animal Protocol |
Animal/Disease Models: Swiss albino mice[1] Doses: 500 mg/kg Route of Administration: Oral administration (po), 14 days Experimental Results: demonstrated no signs or symptoms of toxicity over the 14 days Animal/Disease Models: Scopolamine-induced cognitive deficit mouse model[1 ] Doses: 2.5 mg, 5 mg, and 10 mg/kg Route of Administration: Oral administration (po), 14 days Experimental Results: Elevated plus maze test demonstrated significant reductions in transfer latency and time spent in open arms, similar to the effects observed with Scopolamine (HY-N0296)-induced dementia reversal. |
| References |
[1]. Design, Synthesis, and Biological Evaluation of Piperazine and N-Benzylpiperidine Hybrids of 5-Phenyl-1,3,4-oxadiazol-2-thiol as Potential Multitargeted Ligands for Alzheimer's Disease Therapy. ACS Chem Neurosci. 2023 Jun 7;14(11):2217-2242. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4479 mL | 12.2393 mL | 24.4786 mL | |
| 5 mM | 0.4896 mL | 2.4479 mL | 4.8957 mL | |
| 10 mM | 0.2448 mL | 1.2239 mL | 2.4479 mL |