Physicochemical Properties
| Molecular Formula | C12H11CLF2N2O2 |
| Molecular Weight | 288.68 |
| Exact Mass | 288.048 |
| CAS # | 951659-40-8 |
| PubChem CID | 16752772 |
| Appearance | White to off-white solid powder |
| Melting Point | 69°C(lit.) |
| LogP | 2.242 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 19 |
| Complexity | 366 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QOIYTRGFOFZNKF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2 |
| Chemical Name | 3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | Insect nAChRs are activated by the butenolide pesticide flupyradifurone. the poisonous end point is caused by the modification of the insect nAChR[2]. |
| ln Vivo | In peppers, flupyradifurone has a half-life of 2.6–3.8 days. 0.00094 mg/kg is the estimated daily consumption of flupyradifurone in the country[3]. |
| References |
[1]. The Effects of Exposure to Flupyradifurone on Survival, Development, and Foraging Activity of Honey Bees (Apis mellifera L.) under Field Conditions. Insects. 2021 Apr 16;12(4):357. [2]. Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators. J Med Chem. 2022 Jan 5. [3]. Determination, residue analysis, dietary risk assessment, and processing of flupyradifurone and its metabolites in pepper under field conditions using LC-MS/MS. Biomed Chromatogr. 2022 Jan 3;e5312. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (346.40 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.66 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 (8.66 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 (8.66 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4640 mL | 17.3202 mL | 34.6404 mL | |
| 5 mM | 0.6928 mL | 3.4640 mL | 6.9281 mL | |
| 10 mM | 0.3464 mL | 1.7320 mL | 3.4640 mL |