S29434 (NMDPEF) is a potent, competitive, selective and cell membrane-permeable inhibitor of quinone reductase 2 (QR2), with IC50s ranging from 5 to 16 nM for human QR2 at different organizational levels, and has good selectivity for QR2 over QR1. S29434 (NMDPEF) induces autophay and inhibits QR2-mediated ROS production.
Physicochemical Properties
| Molecular Formula | C21H18N4O3 |
| Molecular Weight | 374.392624378204 |
| Exact Mass | 374.137 |
| CAS # | 874484-20-5 |
| PubChem CID | 46861897 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 28 |
| Complexity | 576 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | XJIUMLVQBQKCJA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H18N4O3/c1-27-17-7-6-15-19(24-17)14(8-10-23-21(26)16-5-3-11-28-16)20-18-13(12-25(15)20)4-2-9-22-18/h2-7,9,11H,8,10,12H2,1H3,(H,23,26) |
| Chemical Name | N-[2-(5-methoxy-1,6,11-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl)ethyl]furan-2-carboxamide |
| 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
| Cell Assay |
Cell Autophagy Assay[1] Cell Types: HepG2 cell line Tested Concentrations: 5 and 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Mitochondria ROS-independently and QR2 S29434 (5-10 μM; 24 h) induces autophagy in HepG2 cells[1]. -dependent triggering of autophagy, and dose-dependent induction of LC3-II, a marker of autophagic vesicles. |
| Animal Protocol |
Animal/Disease Models: CH3 wild-type mice [1] Doses: 1 and 15 mg/kg Route of Administration: intraperitoneal (ip) injection; S29434 (1 and 15 mg/kg; ip once) affects object recognition memory [1]. 1 and 15 mg/kg once Experimental Results: Positive effects on memory by inhibiting QR2. |
| References | [1]. Boutin JA, et al. S29434, a Quinone Reductase 2 Inhibitor: Main Biochemical and Cellular Characterization. Mol Pharmacol. 2019 Mar;95(3):269-285. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~19.29 mg/mL (~51.52 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.93 mg/mL (5.16 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 19.3 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 | 2.6710 mL | 13.3551 mL | 26.7101 mL | |
| 5 mM | 0.5342 mL | 2.6710 mL | 5.3420 mL | |
| 10 mM | 0.2671 mL | 1.3355 mL | 2.6710 mL |