Physicochemical Properties
| Molecular Formula | C13H21CLN2O |
| Molecular Weight | 256.77 |
| Exact Mass | 256.134 |
| CAS # | 5369-00-6 |
| PubChem CID | 9795082 |
| Appearance | White to off-white solid powder |
| LogP | 3.272 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 17 |
| Complexity | 235 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | WFKXSWWTOZBDME-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H20N2O.ClH/c1-10-7-6-8-11(2)13(10)14-12(16)9-15(3,4)5;/h6-8H,9H2,1-5H3;1H |
| Chemical Name | [2-(2,6-dimethylanilino)-2-oxoethyl]-trimethylazanium;chloride |
| 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, avoid exposure to moisture. |
| 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 | As compared to μ1-WT, μ1 IP-Loop to Heart Sequence (μ1-Y401C) exhibits a considerable block twelve minutes after the external administration of 500 μM QX222 chloride (WT, 14.2±1.6% block, n = 8; Y401C, 45.2± 3.6% block, n = 9; P < 0.001)[1]. |
| ln Vivo | In sham-operated rats, QX-222 (10 mg/kg; intravenous infusion; 7 days) chloride reverses the heat hypersensitivity caused by spinal nerve ligation (SNL) and induces antinociception[2]. |
| References |
[1]. A critical residue for isoform difference in tetrodotoxin affinity is a molecular determinant of the external access path for local anesthetics in the cardiac sodium channel. Proc Natl Acad Sci U S A. 2000 Feb 29;97(5):2326-31. [2]. Differential blockade of nerve injury-induced thermal and tactile hypersensitivity by systemically administered brain-penetrating and peripherally restricted local anesthetics. J Pain. 2004 Jun;5(5):281-9. [3]. Reversibility of Ia EPSP investigated with intracellularly iontophoresed QX-222. J Neurophysiol. 1982 Aug;48(2):419-30. |
Solubility Data
| Solubility (In Vitro) | DMSO: 125 mg/mL (486.82 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.10 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 20.8 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: ≥ 2.08 mg/mL (8.10 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 20.8 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: ≥ 2.08 mg/mL (8.10 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 20.8 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 | 3.8945 mL | 19.4727 mL | 38.9454 mL | |
| 5 mM | 0.7789 mL | 3.8945 mL | 7.7891 mL | |
| 10 mM | 0.3895 mL | 1.9473 mL | 3.8945 mL |