Physicochemical Properties
| Molecular Formula | C17H19CLN2O4S |
| Molecular Weight | 382.861762285233 |
| Exact Mass | 382.075 |
| Elemental Analysis | C, 53.33; H, 5.00; Cl, 9.26; N, 7.32; O, 16.72; S, 8.37 |
| CAS # | 1638611-48-9 |
| Related CAS # | 1638611-48-9; |
| PubChem CID | 117715670 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 25 |
| Complexity | 529 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | LXYPQRJNQPYTQW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H19ClN2O4S/c1-19-25(22,23)14-6-3-12(4-7-14)9-10-20-17(21)15-11-13(18)5-8-16(15)24-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21) |
| Chemical Name | 5-chloro-2-methoxy-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]benzamide |
| Synonyms | JC 124; JC-124; JC124 |
| 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 | It has been demonstrated that JC124 can specifically prevent the production of NLRP3 inflammasomes, activate caspase-1, and lower IL-1β in vitro[1]. |
| ln Vivo | Injury-induced deteriorated neuronal numbers, inflammatory cell responses in injured brain, and cortical lesion volume were all significantly reduced by JC124 (100 mg/kg; i.p.; 4 doses; 30 minutes post-injury, 6, 24, and 30 hours post-TBI) treatment. The protein expression levels of NLRP3, ASC, IL-1 beta, TNFα, iNOS, and caspase-1 are similarly markedly decreased by JC124 [1]. |
| Animal Protocol |
Animal/Disease Models: Adult male SD (SD (Sprague-Dawley)) rats (3-4 months old) with traumatic brain injury (TBI) [1] Doses: 100 mg/kg Route of Administration: intraperitoneal (ip) injection; 4 doses; 30 days after injury Minutes, 6, 24, and 30 hrs (hrs (hours)) after TBI Experimental Results: Significant reduction in the number of injury-induced degenerated neurons, inflammatory cell responses in the injured brain, and cortical lesion volume. |
| References |
[1]. A novel small molecular NLRP3 inflammasome inhibitor alleviates neuroinflammatory response following traumatic brain injury. J Neuroinflammation. 2019 Apr 11;16(1):81. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~652.98 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.43 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 (5.43 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (5.43 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 | 2.6119 mL | 13.0596 mL | 26.1192 mL | |
| 5 mM | 0.5224 mL | 2.6119 mL | 5.2238 mL | |
| 10 mM | 0.2612 mL | 1.3060 mL | 2.6119 mL |