Physicochemical Properties
| CAS # | 2241674-94-0 |
| PubChem CID | 162670361 |
| Appearance | Typically exists as solid at room temperature |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 35 |
| Complexity | 837 |
| Defined Atom Stereocenter Count | 0 |
| 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
| ln Vitro | LPS-induced RAW 264.7 cells are inhibited by iNOs-IN-3 (25 μM; 24 hours) [1]. iNOs expression can be decreased by iNOs-IN-3 (12.5 μM; 24 h) [1]. |
| ln Vivo | In mice with xylene-induced ear edema, iNOs-IN-3 (oral; 12.5 mg/kg; once) treatment demonstrated anti-inflammatory activity [1]. iNOs-IN-3 (taken orally once; 3.125 mg/kg, 6.25 mg/kg, 12.5 mg/kg) inhibits the acute lung injury caused by LPS [1]. |
| Cell Assay |
Cell viability assay [1] Cell Types: RAW 264.7 Microphage Tested Concentrations: 25 μM Incubation Duration: 24 hrs (hours) Experimental Results: demonstrated higher inhibitory activity (IC50=14.72 μM) in LPS-induced RAW 264.7 cells. Cell viability assay [1] Cell Types: RAW 264.7 Phage Tested Concentrations: 12.5 μM Incubation Duration: 24 hrs (hours) Experimental Results: Dramatically inhibited LPS-induced iNOS mRNA expression. Cell viability assay [1] Cell Types: RAW 264.7 Microphage Tested Concentrations: 12.5 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibited expression of TNF-α, IL-6 and IL-1β at 12.5 μM. |
| Animal Protocol |
Animal/Disease Models: xylene-induced mice [1] Doses: 12.5 mg/kg Route of Administration: po (po (oral gavage)) 12.5 mg/kg; Experimental Results:demonstrated better activity than the positive control. Animal/Disease Models: lipopolysaccharide-induced acute lung injury (ALI) mice [1] Doses: 3.125 mg/kg, 6.25 mg/kg, 12.5 mg/kg Route of Administration: oral; 3.125 mg/kg, 6.25 mg/kg, 12.5 mg/kg; Experimental Results: dose-dependent reduction of pathological lesions, such as reduction of inflammatory infiltration and pulmonary congestion. Inhibition of LPS-induced pulmonary edema in a dose-dependent manner. |
| References |
[1]. Design and synthesis of new disubstituted benzoxazolone derivatives that act as iNOS inhibitors with potent anti-inflammatory activity against LPS-induced acute lung injury (ALI). Bioorg Med Chem. 2020 Nov 1;28(21):115733. |
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.) |