Physicochemical Properties
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 |
| Exact Mass | 314.079 |
| CAS # | 90363-40-9 |
| PubChem CID | 13964548 |
| Appearance | White to light yellow solid powder |
| LogP | 2.888 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 23 |
| Complexity | 476 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | NKGJZNRUAGQIRY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H14O6/c1-21-10-6-15(22-2)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)12(19)5-9/h3-8,18-19H,1-2H3 |
| Chemical Name | 2-(3,4-dihydroxyphenyl)-5,7-dimethoxychromen-4-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
| Targets | EC50: 3.417 μM (Dopamine transporter)[1] |
| References |
[1]. Discovery and synthesis of novel luteolin derivatives as DAT agonists. Bioorg Med Chem. 2010 Nov 15;18(22):7842-8. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (318.18 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.95 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1818 mL | 15.9089 mL | 31.8177 mL | |
| 5 mM | 0.6364 mL | 3.1818 mL | 6.3635 mL | |
| 10 mM | 0.3182 mL | 1.5909 mL | 3.1818 mL |