GSK2814338 (GSK-2814338) is a novel and potent Lp-PLA2 (Lipoprotein-associated phospholipase A2) with the potential to be used for atherosclerosis and Alzheimer's disease.
Physicochemical Properties
| Molecular Formula | C21H17F5N4O3 |
| Molecular Weight | 468.3767 |
| Exact Mass | 468.122 |
| Elemental Analysis | C, 53.85; H, 3.66; F, 20.28; N, 11.96; O, 10.25 |
| CAS # | 1420367-28-7 |
| PubChem CID | 71236597 |
| Appearance | White to off-white solid powder |
| LogP | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 33 |
| Complexity | 780 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QJIGPJZJKXZSNF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H17F5N4O3/c1-29-5-2-6-30-18(29)9-17(28-20(30)31)32-11-12-7-14(22)19(15(23)8-12)33-13-3-4-16(27-10-13)21(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3 |
| Chemical Name | 8-[[3,5-difluoro-4-[6-(trifluoromethyl)pyridin-3-yl]oxyphenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one |
| Synonyms | GSK-2814338 GSK2814338 Lp-PLA2 -IN-1 |
| HS Tariff Code | 2934.99.03.00 |
| 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
| ln Vitro | Phospholipase A2 that is involved in the hydrolysis of phospholipids or lipoprotein lipids is known as lipoprotein-associated phospholipase A2 (Lp-PLA2). Low-density lipoprotein (LDL) is moved by Lp-PLA2, which then quickly cleaves oxidized phosphatidylcholine molecules that result from LDL oxidation[1]. |
| References |
[1]. Bicyclic pyrimidone compounds. WO2013014185A1. |
Solubility Data
| Solubility (In Vitro) | Ethanol : ~25 mg/mL (~53.38 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.34 mM) (saturation unknown) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% 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 25.0 mg/mL clear EtOH 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: ≥ 2.5 mg/mL (5.34 mM) (saturation unknown) in 10% EtOH + 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 25.0 mg/mL clear EtOH 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 | 2.1350 mL | 10.6751 mL | 21.3502 mL | |
| 5 mM | 0.4270 mL | 2.1350 mL | 4.2700 mL | |
| 10 mM | 0.2135 mL | 1.0675 mL | 2.1350 mL |