Physicochemical Properties
| Molecular Formula | C22H25N3O2S |
| Molecular Weight | 396 |
| Exact Mass | 395.166 |
| CAS # | 924377-85-5 |
| PubChem CID | 16376051 |
| Appearance | White to off-white solid powder |
| LogP | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 28 |
| Complexity | 607 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S1C2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C=2C([H])=C1C(N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N1C(N([H])C2=C([H])C([H])=C([H])C([H])=C12)=O)=O |
| InChi Key | AXWRAIIIBRLXBP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27) |
| Chemical Name | 3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one |
| Synonyms | GSK-1702934A; GSK 1702934A; GSK1702934A |
| 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 | In HEK293 cells transduced with recombinant human TRPC3/6, GSK1702934A may produce TRPC3/6 currents, with EC50 values of 0.08 mM and 0.44 mM, respectively [1]. In TRPC3-overexpressing muscle cells, GSK1702934A causes a brief, non-conductive conductance, and in longer-term TRPC3-overexpressing muscle cells, GSK1702934A dramatically increases NCX current [2]. |
| ln Vivo | The intravenous infusion of GSK1702934A (0.3-3 mg/kg) elevates the blood glucose level of awake Sprague Dawley by 15 to 35 mmHg [3]. |
| References |
[1]. Intensified Microwave-Assisted N-Acylation Procedure - Synthesis and Activity Evaluation of TRPC3 Channel Agonists with a 1,3-Dihydro-2H-benzo[d]imidazol-2-one Core. Synlett. 2017 Apr;28(6):695-700. [2]. TRPC3 contributes to regulation of cardiac contractility and arrhythmogenesis by dynamic interaction with NCX1. Cardiovasc Res. 2015 Apr 1;106(1):163-73. [3]. Schnackenberg, C. G. Characterization of Small Molecule TRPC3 and TRPC6 agonist and Antagonists. Biophysical Journal, 2013. 104(2), 454a. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~252.83 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.32 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 25.0 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: ≥ 2.5 mg/mL (6.32 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 25.0 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: ≥ 2.5 mg/mL (6.32 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 25.0 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 | 2.5253 mL | 12.6263 mL | 25.2525 mL | |
| 5 mM | 0.5051 mL | 2.5253 mL | 5.0505 mL | |
| 10 mM | 0.2525 mL | 1.2626 mL | 2.5253 mL |