Physicochemical Properties
| Molecular Formula | C27H29CLN6O2 |
| Molecular Weight | 505.011164426804 |
| Exact Mass | 576.157 |
| CAS # | 2095832-33-8 |
| Related CAS # | DMA;188860-26-6 |
| PubChem CID | 131704506 |
| Appearance | Light green to green solid powder |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 38 |
| Complexity | 705 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C1=C(C=CC(C2=NC3=CC=C(C4=NC5=CC=C(N6CCN(C)CC6)C=C5N4)C=C3N2)=C1)OC)C.Cl |
| InChi Key | NJYXXGULZHPSHV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C27H28N6O2.3ClH/c1-32-10-12-33(13-11-32)19-6-8-21-23(16-19)31-26(29-21)17-4-7-20-22(14-17)30-27(28-20)18-5-9-24(34-2)25(15-18)35-3;;;/h4-9,14-16H,10-13H2,1-3H3,(H,28,30)(H,29,31);3*1H |
| Chemical Name | 2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | The cytotoxicity of the newly synthesized bisbenzimidazole derivative DMA (6c) was assessed on human tumor cell lines (brain glioma cell line (U87), cervical cancer cell line (HeLa), and breast cancer cell line (MCF7) in comparison to Hoechst. The DMA IC50 for MCF7 is 5.3 μM. When HeLa was present, the DMA IC50 was found to be 3.4 μM [1]. |
| References |
[1]. Synthesis and biological activity of novel inhibitors of topoisomerase I: 2-aryl-substituted 2-bis-1H-benzimidazoles. Eur J Med Chem. 2011 Feb;46(2):659-69. |
Solubility Data
| Solubility (In Vitro) | H2O : ~15.9 mg/mL (~27.51 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 8.33 mg/mL (14.41 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9802 mL | 9.9008 mL | 19.8016 mL | |
| 5 mM | 0.3960 mL | 1.9802 mL | 3.9603 mL | |
| 10 mM | 0.1980 mL | 0.9901 mL | 1.9802 mL |