Physicochemical Properties
| Molecular Formula | C20H15F6N5O3S |
| Molecular Weight | 519.42 |
| 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 D4, XPO1-IN-1, exhibits strong anti-proliferation activity in MM.1S cell and lymphomatous cell lines after 24 hours.[1]. A 24-hour exposure to XPO1-IN-1 (0–10 μM) causes cancer cell cycle arrest[1]. Apoptosis in MM.1S cells is induced by XPO1-IN-1 (0-10 μM, 48 h)[1]. [1]. With over 80% intact compound remaining across rat plasma (2 hours) and almost 85% intact compound remaining in liver microsomes (1 hour), XPO1-IN-1 exhibits good metabolic stability[1]. |
| ln Vivo | Good pharmacokinetic qualities are demonstrated by XPO1-IN-1 (compound D4) (Sprague Dawley rats; 10 mg/kg, IG; 1 mg/kg, IV; once)[1]. XPO1-IN-1 pharmacokinetic parameters in SD rats [1]. The parameters are as follows: ig (10 mg/kg) iv (1 mg/kg) Tmax (h) 2.17 ± 1.76 0.08 T1/2 (h) 2.12 ± 0.16 2.32 ± 0.17 Cmax (ng/mL) 1391.27 ± 586.77 1239.08 ± 152.54 AUC0-t (ng/mL·h) 5774.13 ± 1461.41 1668.03 ± 229.48 AUC0-∞ (ng/mL·h) 6387.17 ± 1637.18 1791.40 ± 236.56 CL (mL/h/kg) 1638.65 ± 431.97 5 65.30 ± 80.40 F (%) 34.6 |
| Cell Assay |
Proliferation Assay Cell Types: MM.1S, Mino, VAL, Rael, Namaiwa, Mutu, H9, JB6, and YT[1] Tested Concentrations: Incubation Duration: 24 h Experimental Results: demonstrated high anti-proliferation efficacy in MM.1S cell and lymphomatous cell lines (Mino, VAL, Rael, Namaiwa, Mutu, H9, JB6, and YT), with IC50 values of 24, 80.2, 189.1, 201.8, 77.7, 158.2, 101.1, 154.1, and 75.4 nM, respectively. Cell Cycle Analysis Cell Types: MM.1S cell[1] Tested Concentrations: 0, 0.1, 1, 5, and 10 μM Incubation Duration: 24 h Experimental Results: Induced cancer cell cycle arrest in high concentration (>100 nM), increased the population of cells arrested in G2 to 37.3% in 5 μM. Apoptosis Analysis Cell Types: MM.1S cell[1] Tested Concentrations: 0, 0.1, 1, and 10 μM Incubation Duration: 48 h Experimental Results: Induced apoptosis, Dramatically increased the apoptotic cell rate to 64.7 % (10 μM) when compared to the sample with negative control (6.7%). Immunofluorescence Cell Types: MM.1S cell[1] Tested Concentrations: 0, 0.1, 1, and 10 μM Incubation Duration: 2 h Experimental Results: Inhibited XPO1- dependent |
| Animal Protocol |
Animal/Disease Models: Sprague Dawley rats[1] Doses: 10 mg/kg (IG), 1 mg/kg (IV) Route of Administration: po (oral gavage) (IG), IV, once (pharmacokinetic/PK Analysis) Experimental Results: demonstrated a good pharmacokinetic/PK properties , with relatively long half-life of 2.12 h (IG) and 2.32 h (IV), respectively, and decent bioavailability F (%) of 34.6%. |
| References |
[1]. Design, synthesis and biological evaluation of sulfonamides inhibitors of XPO1 displaying activity against multiple myeloma cells. Eur J Med Chem. 2022;235:114257. |
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 | 1.9252 mL | 9.6261 mL | 19.2522 mL | |
| 5 mM | 0.3850 mL | 1.9252 mL | 3.8504 mL | |
| 10 mM | 0.1925 mL | 0.9626 mL | 1.9252 mL |