Physicochemical Properties
| Molecular Formula | C25H27CLF4N2O4S |
| Molecular Weight | 563.004498720169 |
| Exact Mass | 562.131 |
| CAS # | 1788071-27-1 |
| PubChem CID | 118120545 |
| Appearance | White to off-white solid powder |
| LogP | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 37 |
| Complexity | 890 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1=CC=C(C(F)(F)F)C=C1CN1CCC(COC2=CC(=C(C(NS(C)(=O)=O)=O)C=C2C2CC2)F)CC1 |
| InChi Key | KYBPOTYVFWNSGS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33) |
| Chemical Name | 4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide |
| 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
| Targets | Nav1.7 <3.2 nM (IC50) |
| ln Vivo | In mice, GX -201 has a comparatively lengthy half-life[1]. Analgesia is produced by GX-201 at a free plasma concentration that is around three times the IC50[1]. Complete Freund's adjuvant (CFA)-induced inflammatory pain is inhibited by GX-201, as is the nociceptive response caused by formalin[1]. |
| Animal Protocol |
Animal/Disease Models: Wild-Type Mice[1]. Doses: 0.3, 1, 3 mg/kg. Route of Administration: Orally, once. Experimental Results: Produced a dose-dependent inhibition of the nociceptive events. |
| References |
[1]. Selective Na V 1.7 Antagonists with Long Residence Time Show Improved Efficacy against Inflammatory and Neuropathic Pain. Cell Rep. 2018 Sep 18;24(12):3133-3145. |
Solubility Data
| Solubility (In Vitro) | DMSO: 62.5 mg/mL (111.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.69 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7762 mL | 8.8810 mL | 17.7620 mL | |
| 5 mM | 0.3552 mL | 1.7762 mL | 3.5524 mL | |
| 10 mM | 0.1776 mL | 0.8881 mL | 1.7762 mL |