Physicochemical Properties
| Molecular Formula | C23H23N3O5 |
| Molecular Weight | 421.445825815201 |
| Exact Mass | 421.163 |
| CAS # | 1445846-30-9 |
| PubChem CID | 71598639 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 31 |
| Complexity | 711 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C12=CC(OCC3COCCO3)=NC(=O)N1CCC1=C2C=CC(OCC2=NC=CC=C2)=C1 |
| InChi Key | KSGKMLVYIUJQMZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H23N3O5/c27-23-25-22(31-15-19-14-28-9-10-29-19)12-21-20-5-4-18(11-16(20)6-8-26(21)23)30-13-17-3-1-2-7-24-17/h1-5,7,11-12,19H,6,8-10,13-15H2 |
| Chemical Name | 2-(1,4-dioxan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-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 |
| 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 | GPR84 is a member of the metabolic G protein-coupled receptor family, whose expression has been largely documented in immune cells. To test the notion that preventing GPR84 activation could be a possible anti-inflammatory therapy in diverse inflammatory disorders, GPR84 antagonists 8 were utilized. The efficacy and specificity of GPR84 antagonist 8 was investigated in cAMP assay employing GPR84-CHO cells. GPR84 antagonist 8 significantly suppresses the effect of 6-OAU on decreasing cAMP generation in GPR84-CHO cells. To investigate the inhibitory effect of GPR84 antagonist 8 on the proinflammatory consequences of GPR84 activation in macrophages, LPS-pretreated BMDM were incubated with 10 µM GPR84 antagonist 8 for 30 min, and then 1 µM 6-OAU was added. Western Blot protein analysis showed that GPR84 antagonist 8 partly prevented 6-OAU-induced AKT and ERK phosphorylation [1]. |
| References |
[1]. Activation of the Immune-Metabolic Receptor GPR84 Enhances Inflammation and Phagocytosis in Macrophages. Front Immunol. 2018 Jun 20;9:1419. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~5 mg/mL (~11.86 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.54 mg/mL (1.28 mM) (saturation unknown) in 10% DMSO + 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 5.4 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: ≥ 0.54 mg/mL (1.28 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 5.4 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. Solubility in Formulation 3: ≥ 0.54 mg/mL (1.28 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 5.4 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 | 2.3728 mL | 11.8638 mL | 23.7276 mL | |
| 5 mM | 0.4746 mL | 2.3728 mL | 4.7455 mL | |
| 10 mM | 0.2373 mL | 1.1864 mL | 2.3728 mL |