Physicochemical Properties
| Molecular Formula | C23H25N5O2S |
| Molecular Weight | 435.54 |
| 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 R-8i, also known as antitumor agent-51, exhibits selective inhibition of MNNG/HOS OS cell growth (IC50 = 21.9 nM) throughout a 72-hour period. However, it has significantly less inhibitory effect on two normal BMSC and GES1 cells (IC50 > 10 μM)[1]. In MNNG/HOS cells, antitumor agent-51 (5 nM; 24 hours) causes a cell cycle arrest with a 23% increase in the G0/G1 phase but no discernible cell apoptosis[1]. The antitumor drug 51 (5 and 20 nM; 24 hours) dramatically inhibits MNNG/HOS cell migration[1]. |
| ln Vivo | Upon ip injection of antitumor agent-51 (12.5 or 62.5 mg/kg; ip or iv, single), male ICR mice demonstrate reasonable bioavailability (52.1%) and excellent intraperitoneal plasma exposures (AUC0-∞>6900 h ng/mL) [1]. With tumor growth inhibition (TGI) of 52.9%, antitumor agent-51 (62.5 mg/kg; ip, twice daily for 18 days) strongly reduces the growth of MNNG/HOS tumors while not clearly causing harm in nude mice [1]. Antitumor agent-51's pharmacokinetic parameters in male ICR mice[1]. AUC0-inf (h·ng/mL) 3230 8406 Cmax (ng/mL) 20511 CL (mL/min/kg) 66.9 F (%) 52.1 IV (12.5 mg/kg) IP (62.5 mg/kg) T1/2 (h) 0.061 0.641 |
| Cell Assay |
Cell Proliferation Assay Cell Types: MNNG/HOS, MG63, SJSA-1, U2OS, 143B, SAOS-2, HOS, SW1353, GES1, and BMSC cells[1] Tested Concentrations: 0-20 μM Incubation Duration: 72 hrs (hours) Experimental Results: Selectively inhibited MNNG/HOS cells proliferation with IC50=21.9 nM, and demonstrated much less inhibitory activity on two normal BMSC and GES1 cells (IC50 >10 μM). Cell Cycle Analysis Cell Types: MNNG/HOS cells[1] Tested Concentrations: 5 nM Incubation Duration: 24 hrs (hours) Experimental Results: Induced a cell cycle arrest with a 23% increase in G0/G1 phase, but no apparent cell apoptosis . |
| Animal Protocol |
Animal/Disease Models: Male ICR mice (30 g, n=3)[1] Doses: 12.5 or 62.5 mg/kg Route of Administration: ip or iv, single (pharmacokinetic/PK Analysis) Experimental Results: demonstrated good intraperitoneal (ip)plasma exposures (AUC0-∞ > 6900 h ng/mL) and an acceptable bioavailability (52.1%) for the ip administration. Animal/Disease Models: Female BALB/c nude mice (3 months, human MNNG/HOS xenografts)[1] Doses: 62.5 mg/kg Route of Administration: ip, twice per day for 18 days Experimental Results: Dramatically suppressed MNNG/HOS tumor growth with tumor growth inhibition (TGI) of 52.9% and did not induce an obvious toxicity. |
| References | [1]. Deng Y, et al. Novel 2-phenyl-3-(Pyridin-2-yl) thiazolidin-4-one derivatives as potent inhibitors for proliferation of osteosarcoma cells in vitro and in vivo. Eur J Med Chem. 2022;228:114010. |
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 | 2.2960 mL | 11.4800 mL | 22.9600 mL | |
| 5 mM | 0.4592 mL | 2.2960 mL | 4.5920 mL | |
| 10 mM | 0.2296 mL | 1.1480 mL | 2.2960 mL |