Physicochemical Properties
| Molecular Formula | C27H30BRNO4S |
| Molecular Weight | 544.50 |
| 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 | SphK1-IN-2 exhibits anti-proliferative action on cancer cells (4-24 μM; 72 hours; cancer cell lines)[1]. In colon cancer cells, SphK1-IN-2 (10-30 μM; 48 hours; HT-29 cells and MDA-MB-231 cells) promotes apoptosis and G0/G1 phase arrest[1]. |
| ln Vivo | Using female BALB/c nude mice, SphK1-IN-2 (50-100 mg/kg; ip; daily; for 14 days) inhibits the growth of breast and colon tumors in vivo[1]. Female BALB/c nude mice given SphK1-IN-2 (2 -50 mg/kg; po, ip, and iv) have a long half-life (T1/2=8.13 h) and a high plasma exposure (AUClast = 8061 h*ng/mL)[1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: HT-29, SW480, MDA-MB231 and MCF-7 cells Tested Concentrations: 4-24 μM Incubation Duration: 72 hrs (hours) Experimental Results: Had inhibitory activity against HT-29 and MDA-MB-231 with IC50 of 3.85 and 7.14 μM, respectively. Cell Cycle Analysis[1] Cell Types: HT-29 cells and MDA-MB-231 cells Tested Concentrations: 10 and 30 μM Incubation Duration: 72 hrs (hours) Experimental Results: Arrestd cell cycle at G0/G1 phase and decreased the expression of cyclin A, cyclin E1, cyclin D1, and CDK6. Apoptosis Analysis[1] Cell Types: HT-29 cells and MDA-MB-231 cells Tested Concentrations: 10 and 30 μM Incubation Duration: 48 hrs (hours) Experimental Results: Induced cell apoptosis in a dose-dependent manner. |
| Animal Protocol |
Animal/Disease Models: Female BALB/c nude mice[1] Doses: 2, 20 and 50 mg/kg(pharmacokinetic/PK Analysis) Route of Administration: Oral administration, intraperitoneal (ip)injection and intravenous (iv) injection Experimental Results: 1.19 admin. poipiv Tmax (min) 0.83 0.18 Cmax (ng/mL) 171 78582 AUClast (h*ng/mL) 242 8061 408 T1/2 (h) 8.13 4.20 2.23 CL_obs (mL/min/kg) 81.10 F (%) 2.38 79.00 Animal/Disease Models: Female BALB/c nude mice[1] Doses: 50 and 100 mg/kg Route of Administration: intraperitoneal (ip)injection; daily; for 14 days Experimental Results: Inhibited the growth of HT29 tumors at a dose of 50 mg/kg and inhibited the growth of MDA-MB-231 breast tumors in a dose-dependent manner. |
| References |
[1]. Novel Sphingosine Kinase 1 Inhibitor Suppresses Growth of Solid Tumor and Inhibits the Lung Metastasis of Triple-Negative Breast Cancer. J Med Chem. 2022 Jun 9;65(11):7697-7716. |
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 | 1.8365 mL | 9.1827 mL | 18.3655 mL | |
| 5 mM | 0.3673 mL | 1.8365 mL | 3.6731 mL | |
| 10 mM | 0.1837 mL | 0.9183 mL | 1.8365 mL |