Physicochemical Properties
| Molecular Formula | C38H41CLN4OS |
| Molecular Weight | 637.28 |
| CAS # | 2766739-35-7 |
| 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 | IC50: 8.26 μM (RAGE), 31.09 nM (SERT)[1] |
| ln Vitro | Compound 12 (RAGE/SERT-IN-1; 1–20 μM; 24 hours) has no discernible effect on SH-SY5Y cell viability[1]. |
| ln Vivo | RAGE/SERT-IN-1 (0-10 μM; 60 min) does not appear to inhibit major CYP enzymes and has decent liver microsomal stability[1]. At 100 mg/kg, RAGE/SERT-IN-1 (100 and 200 mg/kg; IP; single dosage) does not result in the mortality of mice or significantly alter the organ-to-body weight ratio[1]. In the tail suspension test, RAGE/SERT-IN-1 (60 mg/kg; PO; single dosage) dramatically shortens the immobility period[1]. In mice, RAGE/SERT-IN-1 (single dosage; 60 mg/kg PO, 10 mg/kg IV) shows reasonable pharmacokinetic characteristics[1]. RAGE/SERT-IN-1 pharmacokinetic parameters in male ICR mice[1]. AUC0-∞ (ng/mL·h) 24684 23653 CL (mL/min/kg) 7.09 VSS (L/kg) 1037 F (%) 17.1 PO (60 mg/kg) IV (10 mg/kg) T1/2 (h) 5.55 3.46 Cmax (ng/mL) 4935 51745 |
| Cell Assay |
Cell Cytotoxicity Assay Cell Types: SH-SY5Y[1] Tested Concentrations: 1, 5, 10 and 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: Did not affect cell viability at concentrations of 1, 5, and 10 μM, and only a slight decrease in cell viability at the concentration of 20 μM was observed with the viability still above 80%. |
| Animal Protocol |
Animal/Disease Models: Male ICR mice (24-26 g)[1] Doses: 100mg/kg and 200mg/ kg Route of Administration: IP; single (observed for 2 weeks) Experimental Results: All mice were survived and no significant changed in the ratio of organ-to-body weight at a dose of 100 mg/kg. Animal/Disease Models: Male ICR mice[1] Doses: 60 mg/kg Route of Administration: PO; single dosage Experimental Results: Dramatically decreased the immobility time in tail suspension test. Animal/Disease Models: Male ICR mice[1] Doses: 60 mg/kg for PO, 10 mg/kg for IV Route of Administration: PO and IV; single dosage Experimental Results: demonstrated acceptable pharmacokinetic/PK properties in mice. |
| References |
[1]. Discovery of novel dual RAGE/SERT inhibitors for the potential treatment of the comorbidity of Alzheimer's disease and depression. Eur J Med Chem. 2022;236:114347. |
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 | 1.5692 mL | 7.8458 mL | 15.6917 mL | |
| 5 mM | 0.3138 mL | 1.5692 mL | 3.1383 mL | |
| 10 mM | 0.1569 mL | 0.7846 mL | 1.5692 mL |