Physicochemical Properties
| Molecular Formula | C36H38BR2N4O2 |
| Molecular Weight | 718.52 |
| CAS # | 2948352-16-5 |
| 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: 0.09 μM (PARP1)[1]. |
| ln Vitro | TOPOI/PARP-1-IN-1 (1.25-5 μM; 48 h) inhibits the proliferation and migration of HGC-27 cells in a concentration-dependent manner[1]. TOPOI/PARP-1-IN-1 (1.25-5 μM; 24 h) induces apoptosis of HGC-27 cells in a dose-dependent manner[1]. TOPOI/PARP-1-IN-1 induces DNA damage and inhibits the expression of TOPOI protein in HGC-27 cells[1]. TOPOI/PARP-1-IN-1 has antitumor activity with IC50 values of 7.21 μM, 9.48 μM, 3.80 μM and 2.49 μM for HeLa, A549, HepG-2 and HGC-27 cells, respectively[1]. Cell Proliferation Assay[1] Cell Line: HGC-27 cells Concentration: 1.25, 2.5, 5 μM Incubation Time: 48 h Result: Demonstrated dose-dependent inhibitory effect of B6 on the clonogenicity of HGC-27 cells. t: Induced 15.5%, 43.1% and 76.0% of cell apoptosis when the concentrations were 1.25, 2.5, and 5 μM respectively. |
| ln Vivo | TOPOI/PARP-1-IN-1 (40 mg/kg; po; once every two days, for a total of 17 days) inhibits HGC-27 tumor growth in a xenograft mouse model [1]. |
| Animal Protocol |
Animal/Disease Models:Female BALB/c nude mice (xenograft tumor model of HGC-2 cells)[1]. Doses: 40 mg/kg Route of Administration: Oral administration; once every two days, for a total of 17 days Experimental Results: Exhibited tumor growth inhibition rate (TGI) of 75.4% in mice. |
| References |
[1]. Design, synthesis and biological evaluation of matrine contains benzimidazole derivatives as dual TOPOI and PARP inhibitors for cancer therapy. Eur J Med Chem. 2024 Mar 27;270:116348. |
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 | 1.3917 mL | 6.9587 mL | 13.9175 mL | |
| 5 mM | 0.2783 mL | 1.3917 mL | 2.7835 mL | |
| 10 mM | 0.1392 mL | 0.6959 mL | 1.3917 mL |