Physicochemical Properties
| Molecular Formula | C14H8CLF3N4O |
| Molecular Weight | 340.687731742859 |
| Exact Mass | 340.033 |
| CAS # | 2439277-80-0 |
| PubChem CID | 153608878 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 23 |
| Complexity | 513 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BVNKURJMNQNVAO-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H8ClF3N4O/c15-8-3-1-2-4-9(8)22-12-7(11(19)21-13(22)23)5-6-10(20-12)14(16,17)18/h1-6H,(H2,19,21,23) |
| Chemical Name | 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | MAT2A[1] |
| References | [1]. Muzaffar Alam, et al. 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors. WO2020123395A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (293.52 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.94 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 10.0 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 | 2.9352 mL | 14.6761 mL | 29.3522 mL | |
| 5 mM | 0.5870 mL | 2.9352 mL | 5.8704 mL | |
| 10 mM | 0.2935 mL | 1.4676 mL | 2.9352 mL |