Physicochemical Properties
| CAS # | 2304859-34-3 |
| PubChem CID | 163321908 |
| Appearance | Typically exists as solid at room temperature |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 38 |
| Complexity | 928 |
| 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 | At high doses, Lipid-lowering agent-1 (compound 1m) (12.5 μM; 72 hours) did not appear to be hazardous to HepG2 and 3T3-L1 cells [1]. Lipid-lowering agent-1 (10 μM; 24 hours) inhibits LDLC and promotes HDLC synthesis in a major pharmacological way [1]. With a 70.4% TG inhibition rate, lipid-lowering agent-1 (10 μM; 24 hours) can prevent 3T3-L1 cells from transforming from preadipose to adipoid [1]. In 3T3-L1 cells, lipid-lowering agent-1 (10 μM; 10 days) efficiently decreases yellow lipid droplets [1]. |
| ln Vivo | After administering lipid-lowering agent-1 (15 mg/kg; ig, daily for 40 or 80 days) for 40 days, blood cholesterol, triglycerides, and LDLC were lowered by 19.6%, 34.52%, and 41.49% correspondingly, and the three indications were still good. The effect of the medicine after 80 days is better than that of berberine [1]. |
| Cell Assay |
Cytotoxicity assay Cell Types: HepG2 and 3T3-L1[1] Tested Concentrations: 12.5 μM Incubation Duration: 72 hrs (hours) Experimental Results: No obvious toxicity was shown to HepG2 and 3T3-L1 cells at high concentrations. Cell Differentiation Assay Cell Types: 3T3-L1 cells [1] Tested Concentrations: 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibition of the transformation of 3T3-L1 cells from preadipoid to adipoid by inhibiting triglyceride (TG) 70.4. % |
| Animal Protocol |
Animal/Disease Models: High-fat diet (HFD) rats [1] Doses: 15 mg/kg Route of Administration: daily ig for 40 or 80 days Experimental Results: After treatment, blood cholesterol, triglycerides and LDLC were diminished by 19.6% and 34.52% respectively % and 41.49% after 40 days of medication and 80 days of medication, the three indicators are still better than berberine. |
| References | [1]. Kong Y, et al. Discovery and structural optimization of 9-O-phenylsulfonyl-berberines as new lipid-lowering agents. Bioorg Chem. 2022;121:105665. |
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.) |