Physicochemical Properties
| Molecular Formula | C16H15F2N |
| Molecular Weight | 259.29381108284 |
| Exact Mass | 259.117 |
| CAS # | 1266684-01-8 |
| PubChem CID | 51039205 |
| Appearance | Solid powder |
| LogP | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 19 |
| Complexity | 285 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1C=CC=C(C=1/C=C/C1C=CC(=CC=1)N(C)C)F |
| InChi Key | YBJDCOLXJYDHOM-DHZHZOJOSA-N |
| InChi Code | InChI=1S/C16H15F2N/c1-19(2)13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11H,1-2H3/b11-8+ |
| Chemical Name | 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline |
| Synonyms | FIDAS3; FIDAS 3 |
| 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 | Treatment of LS174T cells with FIDAS-3 (3 μM; 7 days) dramatically reduced their ability to proliferate [1]. Cyclin D1 and c-Myc expression in LS174T CRC cells was suppressed by FIDAS-3 (3–10 μM) treatment. p21WAF1/CIP1, a cell cycle inhibitor, is induced to express by FIDAS-3 [1]. LS174T cells treated with FIDAS-3 (10 μM; 36 hours) exhibit a reduction in S-adenosylmethionine (SAM) and S-adenosylhomocysteine (SAH) levels [1]. |
| ln Vivo | The treatment of C57BL/6J athymic nude mice with FIDAS-3 (20 mg/kg; intraperitoneal injection; daily; for 1 month) effectively decreased the formation of xenograft tumors [2]. |
| Cell Assay |
Cell viability assay [1] Cell Types: LS174T colorectal cancer (CRC) cells Tested Concentrations: 3 μM Incubation Duration: 7 days Experimental Results: Dramatically inhibited the proliferation of LS174T cells. |
| Animal Protocol |
Animal/Disease Models: C57BL/6J athymic nude mice (6-8 weeks) injected with LS174 cells [2] Doses: 20 mg/kg Route of Administration: intraperitoneal (ip) injection; daily; 1 month Experimental Results: Dramatically inhibited the growth of xenograft tumors grow. |
| References |
[1]. Fluorinated N,N-dialkylaminostilbenes repress colon cancer by targeting methionine S-adenosyltransferase 2A. ACS Chem Biol. 2013 Apr 19;8(4):796-803. [2]. Fluorinated N,N-dialkylaminostilbenes for Wnt pathway inhibition and colon cancer repression. J Med Chem. 2011 Mar 10;54(5):1288-97. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~385.67 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.64 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 (9.64 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 | 3.8567 mL | 19.2834 mL | 38.5669 mL | |
| 5 mM | 0.7713 mL | 3.8567 mL | 7.7134 mL | |
| 10 mM | 0.3857 mL | 1.9283 mL | 3.8567 mL |