Physicochemical Properties
| Molecular Formula | C16H11N3OS |
| Molecular Weight | 293.343041658401 |
| Exact Mass | 293.062 |
| CAS # | 852678-17-2 |
| PubChem CID | 4782564 |
| Appearance | Brown to black solid powder |
| LogP | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 21 |
| Complexity | 369 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | WGOSYBWTPRPCIR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H11N3OS/c20-14-6-2-3-10-11(14)4-1-5-13(10)19-15-12-7-8-21-16(12)18-9-17-15/h1-9,20H,(H,17,18,19) |
| Chemical Name | 5-(thieno[2,3-d]pyrimidin-4-ylamino)naphthalen-1-ol |
| 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
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~426.13 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.09 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 20.8 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 | 3.4090 mL | 17.0451 mL | 34.0901 mL | |
| 5 mM | 0.6818 mL | 3.4090 mL | 6.8180 mL | |
| 10 mM | 0.3409 mL | 1.7045 mL | 3.4090 mL |