Physicochemical Properties
| Molecular Formula | C21H15CLF4N2O4 |
| Molecular Weight | 470.8 |
| CAS # | 3033087-05-4 |
| 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
| ln Vitro | Compound 7d, which ranges from 1 nM to 100 μM, exhibits anti-proliferative properties against various human cancer cells. Raji and HCT116 cells have a higher percentage of S-phase cells when treated with hDHODH-IN-10 (0.0625-0.25 μM, 24 h)[1]. |
| ln Vivo | In a model of Raji and HCT116 cell xenograft mice, hDHODH-IN-10 (compound 7d, 30 mg/kg, oral administration) inhibits tumor growth[1]. The safety profile of hDHODH-IN-10 (500 mg/kg, oral dosing) is favorable[1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: U937, HCT116, A375, Kasumi-1 and KG-1 cells Tested Concentrations: 0-10 μM approximately Incubation Duration: 96 h Experimental Results: Inhibits cell proliferation with IC50 values of 0.1-0.8 μM. Cell Cycle Analysis[1] Cell Types: Raji and HCT116 cells Tested Concentrations: 0.0625, 0.125 and 0.25 μM Incubation Duration: 24 h Experimental Results: Increased the percentage of S-phase cells from 42.8% to 54.2 %, 60.6% and 67.1%, respectively. |
| Animal Protocol |
Animal/Disease Models: Raji and HCT116 cells xenograft mice model[1] Doses: 30 mg/kg Route of Administration: Oral administration Experimental Results: demonstrated a tumor growth inhibitory (TGI) rate of 58.3% (Raji model) and 42.1% ( HCT116 model). Animal/Disease Models: balb/c (Bagg ALBino) mouse (acute toxicity assay) [1] Doses: 500 mg/kg Route of Administration: Oral administration Experimental Results: LD50 is about 500 mg/kg. Induced a weak dysfunction of liver. |
| References |
[1]. Discovery of potent human dihydroorotate dehydrogenase inhibitors based on a benzophenone scaffold. European Journal of Medicinal Chemistry, 2022, 243 (5), 114737. |
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 | 2.1240 mL | 10.6202 mL | 21.2404 mL | |
| 5 mM | 0.4248 mL | 2.1240 mL | 4.2481 mL | |
| 10 mM | 0.2124 mL | 1.0620 mL | 2.1240 mL |