Physicochemical Properties
| Exact Mass | 457.056 |
| Elemental Analysis | C, 47.27; H, 3.09; F, 12.46; N, 9.19; O, 20.99; S, 7.01 |
| CAS # | 69004-04-2 |
| Related CAS # | Toltrazuril;69004-03-1 |
| PubChem CID | 3050408 |
| Appearance | Solid powder |
| Density | 1.507g/cm3 |
| Melting Point | 242° |
| Index of Refraction | 1.572 |
| LogP | 2.699 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 31 |
| Complexity | 836 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | VBUNOIXRZNJNAD-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26) |
| Chemical Name | 1-Methyl-3-(4-(p-((trifluoromethyl)sulfonyl)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione. |
| Synonyms | BAY-Vi 9143; BAY-Vi-9143; BAY-Vi9143; Ponazuril; Toltrazuril sulfone; Marquis. |
| 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 | Coccidia |
| ln Vitro | Toltrazuril sulfone prevents S. neurona merozoite development[1]. 48 hours after exposure, toltrazuril sulfone inhibits the growth of N. caninum[1]. Toltrazuril sulfone may have inhibitory effects on various apicomplexans by targeting distinct enzymes or enzyme systems[1]. Following the second division by endodyogeny, toltrazuril sulfone (5 mg/ml; 20 hours) inhibits T. gondii replication[2]. |
| ln Vivo | For ten days, toltrazuril sulfone (10–20 mg/kg; p.o.) is an effective treatment for both prevention and treatment of toxoplasmosis in mice[2]. |
| Animal Protocol |
Animal Model: Female CD-1 mice[2] Dosage: 10 mg/kg, 20 mg/kg Administration: Oral administration, daily, for 10 days Result: Prevented and protected mice from toxoplasmosis. |
| References |
[1]. The effects of ponazuril on development of apicomplexans in vitro. J Eukaryot Microbiol. May-Jun 2005;52(3):231-5. [2]. Efficacy of ponazuril in vitro and in preventing and treating Toxoplasma gondii infections in mice. J Parasitol. 2004 Jun;90(3):639-42. |
| Additional Infomation | Ponazuril, sold by the Bayer Corporation under the trade name Marquis, is a drug currently approved for the treatment of equine protozoal myeloencephalitis in horses, caused by Sarcocystis neurona. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~109.32 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.47 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.47 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |