Physicochemical Properties
| Molecular Formula | C12H10F2N2O2S |
| Molecular Weight | 284.281808376312 |
| Exact Mass | 284.043 |
| CAS # | 736154-60-2 |
| PubChem CID | 2473445 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 19 |
| Complexity | 380 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1(S(NCC2C=CN=CC=2)(=O)=O)=CC=C(F)C(F)=C1 |
| InChi Key | BMPWOBNXZUHLQC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H10F2N2O2S/c13-11-2-1-10(7-12(11)14)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2 |
| Chemical Name | 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide |
| 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 | In an SV40 large T antigen-transformed osteoblast cell line (Clone20-Shn3FFL), Schnurri-3 inhibitor-1 (0-50 μM; 24 hours) suppresses Shn3 with the EF1α promoter, with an AC50 value of 2.09 μM [1]. With an AC50 value of 54.73 μM, Schnurri-3 inhibitor-1 (0.195-26 μM; 48 hours) demonstrates modest action in HepG2 mammalian cells [1]. Determination of cell viability [1] |
| Cell Assay |
Cell viability determination [1] Cell Types: Clone20-Shn3FFL Cell Tested Concentrations: 2.09 μM Incubation Duration: 24 hrs (hours) Experimental Results: The AC50 value of the active concentration is 2.09 μM. Cell viability assay [1] Cell Types: Clone20-Shn3FFL Cell Tested Concentrations: 1.2 μM Incubation Duration: 24 hrs (hours) Experimental Results: The AC50 value of the active concentration is 1.2 μM. |
| References |
[1]. National Center for Biotechnology Information. PubChem Compound Summary for CID 2473445. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~879.41 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (7.32 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (7.32 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 20.8 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: ≥ 2.08 mg/mL (7.32 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 20.8 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 | 3.5177 mL | 17.5883 mL | 35.1766 mL | |
| 5 mM | 0.7035 mL | 3.5177 mL | 7.0353 mL | |
| 10 mM | 0.3518 mL | 1.7588 mL | 3.5177 mL |