VU0529331 is a novel, potent and modestly selective activator of non-GIRK1-containing G protein-gated, inwardly-rectifying, potassium channel (non-GIRK1/X) with EC50s of 5.1 µM and 5.2 µM for GIRK2 and GIRK1/2 in HEK293 cells, respectively. G protein-gated, inwardly rectifying, potassium (GIRK) channels are important regulators of cellular excitability throughout the body. GIRK channels are heterotetrameric and homotetrameric combinations of the Kir3.1-4 (GIRK1-4) subunits. Different subunit combinations are expressed throughout the central nervous system (CNS) and the periphery, and most of these combinations contain a GIRK1 subunit.
Physicochemical Properties
| Molecular Formula | C22H20N6O |
| Molecular Weight | 384.43380355835 |
| Exact Mass | 384.169 |
| CAS # | 1286725-49-2 |
| PubChem CID | 52417637 |
| Appearance | White to off-white solid powder |
| LogP | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 29 |
| Complexity | 596 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C1C=NC=CN=1)N1CC2C(=C(N3C=CC=C3)N(C3C=CC(C)=C(C)C=3)N=2)C1 |
| InChi Key | KKICJSSCAYMJOA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H20N6O/c1-15-5-6-17(11-16(15)2)28-21(26-9-3-4-10-26)18-13-27(14-20(18)25-28)22(29)19-12-23-7-8-24-19/h3-12H,13-14H2,1-2H3 |
| Chemical Name | (2-(3,4-Dimethylphenyl)-3-(1H-pyrrol-1-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)(pyrazin-2-yl)methanone |
| Synonyms | VU-0529331; VU 0529331; VU0529331 |
| 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
| References |
[1]. Discovery and Characterization of VU0529331, a Synthetic Small-Molecule Activator of Homomeric G Protein-Gated, Inwardly Rectifying, Potassium (GIRK) Channels. ACS Chem Neurosci. 2018 Sep 13. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~5 mg/mL (~13.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.25 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 12.5 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: ≥ 1.25 mg/mL (3.25 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 12.5 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 | 2.6013 mL | 13.0063 mL | 26.0125 mL | |
| 5 mM | 0.5203 mL | 2.6013 mL | 5.2025 mL | |
| 10 mM | 0.2601 mL | 1.3006 mL | 2.6013 mL |