Physicochemical Properties
| Molecular Formula | C20H16N4O |
| Exact Mass | 328.132 |
| CAS # | 1451058-50-6 |
| Related CAS # | DB772 hydrate |
| PubChem CID | 3007934 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 502 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C(=CC=C1C1C=CC(=CC=1)C1=NCCN1)C1=NC2C=CC=CC=2N1 |
| InChi Key | XDFQDDCYYZDDDY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H16N4O/c1-2-4-16-15(3-1)23-20(24-16)18-10-9-17(25-18)13-5-7-14(8-6-13)19-21-11-12-22-19/h1-10H,11-12H2,(H,21,22)(H,23,24) |
| Chemical Name | 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole |
| 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 | The BVDV2 and BDV viruses are inhibited from reproducing at concentrations more than 0.2 μM, the Bungowannah virus at concentrations greater than 0.01 μM, and the HoBi virus at concentrations greater than 1.65 μM when exposed to DB772 Hydrate (0-100 μM, 96 hours). [2]. With a CC50 (50% cytotoxic concentration) of 3.8 μM and a TC-EC50 (50% tissue culture effective concentration) of 0.8 μM, DB772 hydrate exhibits anti-prion action and suppresses PrPSc in sheep microglia. accumulating[3]. |
| Cell Assay |
Cell viability assay [3] Cell Types: Human telomerase immortalized (hTERT) PrPSc of sheep microglia Positive and negative cell lines Tested Concentrations: 1 μM Incubation Duration: 4 days Experimental Results: No significant effect on cell viability, cells Vitality is 96.4%. At a concentration of 4 μM, PrPSc-positive puncta were Dramatically diminished by 65.8% and completely inhibited the accumulation of PrPSc in scrapie-infected primary sheep microglia. |
| References |
[1]. Discovery of a novel, monocationic, small-molecule inhibitor of scrapie prion accumulation in cultured sheep microglia and Rov cells. PLoS One. 2012;7(11):e51173. [2]. Efficacy of an antiviral compound to inhibit replication of multiple pestivirus species. Antiviral Res. 2012 Nov;96(2):127-9. [3]. Antiprion Activity of DB772 and Related Monothiophene- and Furan-Based Analogs in a Persistently Infected Ovine Microglia Culture System. Antimicrob Agents Chemother. 2016 Aug 22;60(9):5467-82. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~10 mg/mL (~24.92 mM) |
| 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.) |