| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
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| Targets |
S29434 targets quinone reductase 2 (QR2, also known as NQO2). It is a potent inhibitor with IC50 values ranging from 5 to 16 nM for human QR2. It exhibits high selectivity for QR2 over the related enzyme QR1 (NQO1). By inhibiting QR2, it reduces QR2-mediated production of reactive oxygen species (ROS).
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| ln Vitro |
In vitro, S29434 is characterized by its potent and selective inhibition of QR2. Its IC50 in the nanomolar range (5-16 nM) demonstrates high efficacy. Its activity is confirmed in enzyme assays where it inhibits the reduction of QR2 substrates. By inhibiting QR2, it can induce autophagy in cells, which is a key mechanism for its biological effects.
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| ln Vivo |
In vivo, S29434 is used as a research tool to study the role of QR2 in various physiological and pathological processes. By inhibiting QR2 and inducing autophagy, it can be used to study the effects of autophagy in models of disease, including cancer and neurodegeneration. Its ability to inhibit QR2-mediated ROS production also makes it relevant for studies of oxidative stress.
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| Enzyme Assay |
The in vitro enzyme assay for S29434 involves measuring the activity of QR2. The enzyme is incubated with a substrate, such as menadione or a fluorogenic QR2 substrate, and the cofactor N-ribosyl-dihydronicotinamide (NRH). The rate of substrate reduction is measured, typically by following the change in absorbance or fluorescence. The compound's ability to inhibit this activity is measured, and the IC50 is calculated.
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| 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. In vitro cell culture studies for S29434 involve treating cells with the compound and assessing its effects. Autophagy induction is confirmed by detecting the conversion of LC3-I to LC3-II and the accumulation of autophagosomes, using Western blotting or fluorescence microscopy. The reduction in QR2-mediated ROS production can be measured using a ROS-sensitive fluorescent probe like DCFH-DA. |
| 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. In vivo animal experiments for S29434 are not widely documented. As a research tool, it could be administered to rodents to study the effects of QR2 inhibition and autophagy induction in various disease models. For example, in a model of neurodegeneration, its ability to reduce oxidative stress and enhance clearance of aggregated proteins could be assessed. |
| ADME/Pharmacokinetics |
S29434 has a molecular weight of 374.39 g/mol and is a solid compound. It is soluble in DMSO (19.29 mg/mL). It is typically stored as a powder at -20°C, with stock solutions stable for up to one year at -80°C. It is cell-permeable, which is essential for its use in cellular studies.
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| Toxicity/Toxicokinetics |
Toxicological data for S29434 are limited, as it is a research compound. It is not intended for human use. Comprehensive toxicity studies have not been reported. Standard safety precautions for handling chemical reagents should be followed. Its effects on autophagy and ROS suggest it could have significant biological activity.
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| 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.
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| Additional Infomation |
S29434 is a research compound with no clinical approval. It is a valuable tool for studying the biology of QR2 and the role of autophagy in health and disease. By providing a selective inhibitor for QR2, it helps to dissect the specific functions of this enzyme, which is important for understanding its role in oxidative stress, inflammation, and other pathological processes.
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| Molecular Formula |
C21H18N4O3
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|---|---|
| Molecular Weight |
374.392624378204
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| Exact Mass |
374.137
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| CAS # |
874484-20-5
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| PubChem CID |
46861897
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
576
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=NC2=C(C=C1)N3CC4=C(C3=C2CCNC(=O)C5=CC=CO5)N=CC=C4
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| InChi Key |
XJIUMLVQBQKCJA-UHFFFAOYSA-N
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| 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)
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| 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
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~19.29 mg/mL (~51.52 mM)
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| 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 |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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