Physicochemical Properties
| Molecular Formula | C19H26N8S |
| Molecular Weight | 398.53 |
| 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 | Anticancer agent 69 (Compound 34, 0–20 μM roughly, 72 h) has selective anticancer action against normal and various cancer cell lines in PC3 cells, with an IC50 value of 26 nM[1]. The anticancer drug 69 (1–7 days) decreases PC3 and PC9 cell viability in a dose- and time-dependent manner[1]. Anticancer agent 69 (0-100 nM, 7 days) results in smaller and fewer colonies than cells treated with DMSO[1]. ROS production is increased by anticancer agent 69 (0-800 nM, 34/72 h), which also increases the expression of proteins linked to apoptosis, phosphorylation of MAPK's downstream proteins, and Prx I–III expression[1]. Inducing apoptosis in PC3 and PC9 cells in a dose-dependent manner, agent 69 (0-500 nM, 72 h) lowers the level of EGFR and phosphorylates its downstream protein (ERK, AKT)[1]. |
| Cell Assay |
Western Blot Analysis [1] Cell Types: PC3, PC9 Tested Concentrations: 0-800 nM Incubation Duration: 72 h Experimental Results: Stimulated Prx I-III expression, phosphorylation level of MAPK 's downstream proteins (P38, JNK), expression of apoptosis-related proteins ( Bax, cleaved-Caspased 3). Inhibited the level of EGFR and its downstream protein (p-ERK, p-AKT). Increased pro-apoptotic proteins (Bax and P53) expression and reduces anti-apoptotic protein (Bcl-2) expression. Cell Proliferation Assay[1] Cell Types: PC3, PC9 Tested Concentrations: 0-100 nM Incubation Duration: 7 days Experimental Results: Formed fewer and smaller colonies compared those with DMSO-treated cells. Cell Viability Assay[1] Cell Types: Cancer cell lines (PC3, MGC-803, PC9, EC9706, SMMC-7721), normal cell lines (Het-1A, L02 and GES-1) Tested Concentrations: 0-20 μM approximately Incubation Duration: 72 h Experimental Results: Inhibited proliferation of multiple cancer cell lines with IC50 values of 26 nM (PC3), 557 nM (MGC-803), 148 nM (PC9), 3.99 μM (EC9706), 844 nM (SMMC-7721), respectively |
| References |
[1]. Novel [1,2,3]triazolo[4,5-d]pyrimidine derivatives containing hydrazone fragment as potent and selective anticancer agents. Bioorg Chem. 2020 Dec;105:104424. |
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 | 2.5092 mL | 12.5461 mL | 25.0922 mL | |
| 5 mM | 0.5018 mL | 2.5092 mL | 5.0184 mL | |
| 10 mM | 0.2509 mL | 1.2546 mL | 2.5092 mL |