Physicochemical Properties
| Molecular Formula | C20H21N3O5S |
| Molecular Weight | 415.46 |
| Exact Mass | 415.12 |
| CAS # | 2171519-89-2 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 3.2 |
| SMILES | C(OC)(=O)C1=CC=C(N2C=C(CCCOS(C3=CC=C(C)C=C3)(=O)=O)N=N2)C=C1 |
| InChi Key | VYUDJPGSULLWAS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H21N3O5S/c1-15-5-11-19(12-6-15)29(25,26)28-13-3-4-17-14-23(22-21-17)18-9-7-16(8-10-18)20(24)27-2/h5-12,14H,3-4,13H2,1-2H3 |
| Chemical Name | methyl 4-[4-[3-(4-methylphenyl)sulfonyloxypropyl]triazol-1-yl]benzoate |
| 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 | When compared to mock-transfected cells, cjoc42 (0.5, 1 and 5 μM; 48 hours) dose-dependently restores p53 levels and prevents gankyrin-induced p53 level drop in cells [1]. In terms of cell viability, cjoc42 alone (0.1, 1 and 10 μM; 24 hours) did not exhibit any dose-dependent alterations [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: U2OS Tested Concentrations: 0.5, 1 and 5 μM Incubation Duration: 48 hrs (hours) Experimental Results: Dose-dependent restoration of p53 levels (compared to mock-transfected cells) and inhibition of gankyrin-induced decrease in p53 levels in cells . |
| References |
[1]. Discovery of a small-molecule binder of the oncoprotein gankyrin that modulates gankyrin activity in the cell. Sci Rep. 2016;6:23732. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~240.70 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.02 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 | 2.4070 mL | 12.0349 mL | 24.0697 mL | |
| 5 mM | 0.4814 mL | 2.4070 mL | 4.8139 mL | |
| 10 mM | 0.2407 mL | 1.2035 mL | 2.4070 mL |