Physicochemical Properties
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.25 |
| Exact Mass | 241.085 |
| CAS # | 453590-24-4 |
| PubChem CID | 5329802 |
| Appearance | Yellow to brown solid powder |
| LogP | 3.061 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 18 |
| Complexity | 281 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | DIJLFIHLUYAZCI-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)11-6-10-12(14)15-7-16-13(10)18-11/h2-7H,1H3,(H2,14,15,16) |
| Chemical Name | 6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine |
| 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 | Tie2 |
| ln Vitro | TIE-2 is a new angiogenic factor, and Angiopoieten 1 is a ligand for the endotheiium-specific receptor tyrosine kinase[1]. It is anticipated that TIE-2 inhibition will interfere with the remodeling and maturation of newly formed vasculature, which is started by angiogenesis and thus interferes with the angiogenic process. Tyrosine residue phosphorylation would be prevented by inhibition at the VEGFR-2 kinase domain binding site, which would also interfere with the start of angiogenesis. |
| References |
[1]. Furo-and thienopyrimidine derivatives as angiogenesis inhibitors. Patent WO2003022852. |
Solubility Data
| Solubility (In Vitro) | DMSO: 5 mg/mL (20.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 4 mg/mL (16.58 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 40.0 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: ≥ 4 mg/mL (16.58 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 40.0 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 | 4.1451 mL | 20.7254 mL | 41.4508 mL | |
| 5 mM | 0.8290 mL | 4.1451 mL | 8.2902 mL | |
| 10 mM | 0.4145 mL | 2.0725 mL | 4.1451 mL |