Physicochemical Properties
| Molecular Formula | C21H18N2O6 |
| Molecular Weight | 394.377 |
| Exact Mass | 394.116 |
| CAS # | 442644-28-2 |
| PubChem CID | 644733 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 1.846 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 29 |
| Complexity | 647 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BTXRSHKJNDFHGA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25) |
| 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 | JW67 (1 μM; 24 hours) lowers the active form of β-catenin and raises the concentration of AXIN2 [1]. Colon cancer cell line proliferation is inhibited and Wnt target gene expression is impacted by JW67 [1]. With a GI50 value of 7.8 μM, JW67 exhibits a concentration-dependent decrease in proliferation [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: SW480 Cell Tested Concentrations: 1 μM Incubation Duration: 24 hrs (hours) Experimental Results: Increased AXIN2 expression. RT-PCR[1] Cell Types: SW480 cells Tested Concentrations: 10 or 25μM Incubation Duration: 72 hrs (hours) Experimental Results: diminished in vitro growth of SW480 CRC cells by inhibiting G1/S cell cycle progression. |
| References |
[1]. Novel synthetic antagonists of canonical Wnt signaling inhibit colorectal cancer cell growth. Cancer Res. 2011;71(1):197-205. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~126.78 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.34 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 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 (6.34 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5356 mL | 12.6781 mL | 25.3563 mL | |
| 5 mM | 0.5071 mL | 2.5356 mL | 5.0713 mL | |
| 10 mM | 0.2536 mL | 1.2678 mL | 2.5356 mL |