Physicochemical Properties
| Molecular Formula | C19H14F3N3O2S |
| Molecular Weight | 405.393573284149 |
| Exact Mass | 405.075 |
| CAS # | 883003-62-1 |
| PubChem CID | 2823337 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 28 |
| Complexity | 541 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | CLFOYJSEPPNFQZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H14F3N3O2S/c1-26-14-6-5-11(8-15(14)27-2)12-9-17(19(20,21)22)25-18(23-12)10-13(24-25)16-4-3-7-28-16/h3-10H,1-2H3 |
| Chemical Name | 5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine |
| 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
| References |
[1]. Pyrazolo[1,5a]pyrimidines as a new class of FUSE binding protein 1 (FUBP1) inhibitors. Bioorg Med Chem. 2016 Nov 15;24(22):5717-5729. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~16.67 mg/mL (~41.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.79 mg/mL (4.42 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 17.9 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 | 2.4668 mL | 12.3338 mL | 24.6676 mL | |
| 5 mM | 0.4934 mL | 2.4668 mL | 4.9335 mL | |
| 10 mM | 0.2467 mL | 1.2334 mL | 2.4668 mL |