Physicochemical Properties
| Molecular Formula | C18H16N2O3S |
| Molecular Weight | 340.396243095398 |
| Exact Mass | 340.088 |
| CAS # | 2131803-93-3 |
| Related CAS # | WYC-209;2131803-90-0 |
| PubChem CID | 130417724 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 24 |
| Complexity | 584 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | NENFGFHRYIOMTM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H16N2O3S/c1-18(2)7-8-24(23)15-5-3-12(9-14(15)18)4-6-16-19-10-13(11-20-16)17(21)22/h3,5,9-11H,7-8H2,1-2H3,(H,21,22) |
| Chemical Name | 2-[2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidine-5-carboxylic acid |
| 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 | B16-F1 TRC cell proliferation is inhibited by WYC-210 (10 μM; 5 days) with an inhibition rate of 18.1%[1]. |
| References | [1]. Cao, Xin, et al. Preparation of the retinoid compound and their application as anticancer agents. WO2017152725A1. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (146.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.34 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 (7.34 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 | 2.9377 mL | 14.6886 mL | 29.3772 mL | |
| 5 mM | 0.5875 mL | 2.9377 mL | 5.8754 mL | |
| 10 mM | 0.2938 mL | 1.4689 mL | 2.9377 mL |