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 | BRD4-BD1 0.82 μM (IC50) BRD4 (BD2) 1.94 μM (IC50) BRD4 BD1 0.419 μM (Ki) BRD4 BD2 0.686 μM (Ki) BRD2 BD1 15.91 μM (IC50) BRD2 BD1 7.43 μM (Ki) |
| ln Vitro | Compound 11a, or BRD4 Inhibitor-25, is known to suppress the growth of OC cell lines, including SKOV-3, OVCAR-3, SW626, ES-2, and A2780 [1]. In the presence of excess cysteine, BRD4 Inhibitor-25 stimulates moderate NO release (10.587 μM) [1]. SKOV-3 cells undergo autophagy and death when exposed to 1 and 2 μM of BRD4 Inhibitor-25 for a 24-hour period [1]. BRD4 Inhibitor-25 (2 μM, 24 hours) prevents autophagic flow in SKOV-3 cells by inhibiting the fusion of autophagosomes and lysosomes [1]. |
| ln Vivo | In the SKOV-3 subcutaneous xenograft model, BRD4 Inhibitor-25 (Compound 11a, 30 mg/kg, i.p.) reduces the growth of tumors [1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: OC cell lines(SKOV-3, OVCAR-3, SW626, ES-2 and A2780) Tested Concentrations: 0-20 μM approximately Incubation Duration: 24 h Experimental Results: Inhibited cell proliferation with IC50s of 1.38, 2.69, 8.47, 3.44, 3.44 μM respectively. Western Blot Analysis[1] Cell Types: SKOV-3 cells Tested Concentrations: 2 μM Incubation Duration: 24 h Experimental Results: Increased cytochrome c and cleaved-caspase 3. decreased the anti-apoptosis protein Bcl-2. Increased the autophagy-related proteins LC3II/I, p62/SQSTM1, and Beclin1. |
| Animal Protocol |
Animal/Disease Models: SKOV-3 subcutaneous (sc) xenograft model[1] Doses: 30 mg/kg Route of Administration: intraperitoneal (ip)injection Experimental Results: decreased Ki-67, a cell proliferation marker (IHC staining). |
| References | [1]. Zhang Y, et al. Design, synthesis and anti-ovarian cancer activities of thieno[2,3-d]pyrimidine based chimeric BRD4 inhibitor/nitric oxide-donator. Eur J Med Chem. 2022 Nov 29;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 |