Physicochemical Properties
| Molecular Formula | C37H48FO13P |
| Molecular Weight | 750.74 |
| Exact Mass | 750.281 |
| CAS # | 2582755-72-2 |
| PubChem CID | 146681210 |
| Appearance | White to light yellow ointment |
| LogP | 7.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 52 |
| Complexity | 1070 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | WWHLAYKEMWWVIA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C37H48FO13P/c1-36(2,3)34(39)48-20-50-52(41,51-21-49-35(40)37(4,5)6)33(38)26-14-22(24-16-27(42-7)31(46-11)28(17-24)43-8)13-23(15-26)25-18-29(44-9)32(47-12)30(19-25)45-10/h13-19,33H,20-21H2,1-12H3 |
| Chemical Name | [[[3,5-bis(3,4,5-trimethoxyphenyl)phenyl]-fluoromethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate |
| 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
| Targets | STAT5a |
| ln Vitro | Stafia-1-dipivaloyloxymethyl ester (compound 27, 0-200 μM) dramatically reduces pSTAT5a expression while showing no discernible suppression of pSTAT5b[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: STAT5a-GFP-transfected K562 cells. Tested Concentrations: 0-200 μM. Incubation Duration: Experimental Results: diminished pSTAT5a expression. |
| References |
[1]. Stafia-1: A STAT5a-Selective Inhibitor Developed via Docking-Based Screening of in Silico O-Phosphorylated Fragments. Chemistry. 2020 Jan 2;26(1):148-154. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (133.20 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.33 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 | 1.3320 mL | 6.6601 mL | 13.3202 mL | |
| 5 mM | 0.2664 mL | 1.3320 mL | 2.6640 mL | |
| 10 mM | 0.1332 mL | 0.6660 mL | 1.3320 mL |