Physicochemical Properties
| Molecular Formula | C29H27N5O6S |
| Molecular Weight | 573.62 |
| 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
| Targets | IC50: 0.82 μM (BRD4 (BD1)); 1.94 μM (BRD4 (BD2)); 1.38-8.47 μM (OC cells)[1]. Kd: 0.419 μM (BRD4 (BD1)); 0.686 μM (BRD4 (BD2))[1] |
| ln Vitro | Compound 11a, also known as BRD4 Inhibitor-26, exhibits inhibitory activity against BRD4(BD1) and BRD4(BD2), with IC50 values of 0.82 μM and 1.94 μM, respectively[1]. The inhibitory activity of BRD4 Inhibitor-26 is demonstrated against BRD4(BD1) and BRD4(BD2), with Kd values of 0.419 μM and 0.686 μM, respectively[1]. On OC cells, BRD4 Inhibitor-26 exhibits inhibitory activity with IC50 values ranging from 1.38 to 8.47 μM[1]. In addition to causing apoptosis and autophagic cell death, BRD4 Inhibitor-26 (0, 1.0, and 2.0 μM; 24 h) dramatically lowers the expression of BRD4 and c-Myc [1]. |
| ln Vivo | BRD4 Inhibitor-26 (ip; 30 mg/kg) causes apoptosis in vivo and exhibits anti-tumor action [1]. |
| Cell Assay |
Apoptosis Analysis[1] Cell Types: SKOV-3 cells Tested Concentrations: 0, 1.0 and 2.0 μM Incubation Duration: 24 h Experimental Results: Increased the percentages of total apoptotic cells and demonstrated dose-dependent in early apoptotic cells. Western Blot Analysis[1] Cell Types: SKOV-3 cells Tested Concentrations: 0, 1.0 and 2.0 μM Incubation Duration: 24 h Experimental Results: Up-regulated the classical apoptosis-related proteins Cytochrome c, down-regulated the anti-apoptosis protein Bcl-2 and Cleaved-caspase 3 and also up-regulate the autophagy-related proteins LC3II/I, p62/SQSTM1 and Beclin1. Immunofluorescence[1] Cell Types: SKOV-3 cells Tested Concentrations: 2.0 μM Incubation Duration: 24 h Experimental Results: [1] |
| Animal Protocol |
Animal/Disease Models: Balb/c nude mice[1] Doses: 30 mg/kg Route of Administration: intraperitoneal (ip)administration Experimental Results: Suppressed the ovarian cancer cells proliferation via BRD4 inhibition and activated apoptosis. |
| References |
[1]. Design, synthesis and anti-ovarian cancer activities of thieno[2,3-d]pyrimidine based chimeric BRD4 inhibitor/nitric oxide-donator. Eur J Med Chem. 2023 Jan 15;246:114970. |
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 | 1.7433 mL | 8.7166 mL | 17.4331 mL | |
| 5 mM | 0.3487 mL | 1.7433 mL | 3.4866 mL | |
| 10 mM | 0.1743 mL | 0.8717 mL | 1.7433 mL |