Physicochemical Properties
| Molecular Formula | C29H30N6O2 |
| Molecular Weight | 494.59 |
| 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 6d, also known as antitumor agent-83, acts in a dose-dependent manner to promote the release of cytochrome C by mediating apoptosis and activating BAX [1]. A549, HCT-116, PC-3, H1581, MDA-MB-231, K562, MV4-11, and THP-1 tumor cells are significantly less proliferative when treated with antitumor agent-83; the GI50 values for these samples are 2.15 µM and 3.31 µM, respectively. The viability of A549 cells is considerably reduced in a dose- and time-dependent manner by antitumor agent-83 (1–5 µM; 24, 48, and 72 h) [1]. A549 cells are subjected to dose-dependent promotion of apoptosis by antitumor agent-83 (5 µM and 10 µM; 48 h) [1]. The G0/G1 phase cell cycle arrest caused by antitumor agent-83 (2.5 µM and 5 µM; 48 h) is dose-dependent [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: A549 cells. Tested Concentrations: 5, 10, 20 and 40 µM. Incubation Duration: 24 h. Experimental Results: Dramatically up-regulated the expression level of BAX, activated the conformation of BAX and caused the release of cytochrome c. Cell Viability Assay[1] Cell Types: A549 cells. Tested Concentrations: 1, 2, 3, 4 and 5 µM. Incubation Duration: 24, 48 and 72h. Experimental Results: demonstrated inhibitory effect on the growth of A549 cells and demonstrated greatest impact on the viability of A549 cells(5 µM; 72 h). Apoptosis Analysis[1] Cell Types: A549 cells. Tested Concentrations: 5 and 10 µM. Incubation Duration: 48 h. Experimental Results: demonstrated active effect on the apoptosis of A549 cells with cell apoptosis were 15.43 % and 73.40 % at the concentration of 5 µM and 10 µM, respectively. Cell Cycle Analysis[1] Cell Types: A549 cells. Tested Concentrations: 2.5 and 5 µM. Incubation Duration: 48 h. Experimental Results: demonstrated inhibitory effect on A549 cell cycle. |
| References | [1]. Zhang Z, et al. Optimization of BAX trigger site activator BTSA1 with improved antitumor potency and in vitro ADMET properties. Eur J Med Chem. 2023 Feb 15;248:115076. |
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 | 2.0219 mL | 10.1094 mL | 20.2188 mL | |
| 5 mM | 0.4044 mL | 2.0219 mL | 4.0438 mL | |
| 10 mM | 0.2022 mL | 1.0109 mL | 2.0219 mL |