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| Targets |
Niazinin targets Leishmania parasites through mechanisms that result in parasite death. The compound exhibits potent antileishmanial activity with an IC50 value of 5.25 μM. Niazinin also demonstrates binding affinity to the target protein 3CL protease, which is a key enzyme in SARS-CoV-2 replication, suggesting potential antiviral activity. The compound's leishmanicidal activity is likely mediated through disruption of essential parasite functions. Its anti-inflammatory and antipyretic activities suggest effects on inflammatory pathways. The compound's cytotoxicity at higher concentrations (CC50 of 31.6 µM) indicates a therapeutic window for its antileishmanial activity.
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| ln Vitro |
At a significantly greater concentration (CC50 of 31.6 µM) than its antileishmanial concentration (IC50 of 5.25 µM), niazinin is cytotoxic[1]..
In vitro, niazinin has demonstrated potent antileishmanial activity with an IC50 value of 5.25 μM. It is the monomer with the strongest antileishmanial activity among tested compounds. Niazinin also shows binding affinity to the target protein 3CL protease, suggesting potential activity against SARS-CoV-2. The compound has leishmanicidal, anti-inflammatory, and antipyretic activities. Its cytotoxicity (CC50 of 31.6 µM) is substantially higher than its antileishmanial concentration, indicating selectivity for parasites over mammalian cells. The compound's thiocarbamate glycoside structure contributes to its biological activities. These in vitro activities make niazinin a compound of interest for antiparasitic and antiviral research. |
| ln Vivo |
In vivo, niazinin's biological activities are suggested by its in vitro profile, but detailed in vivo efficacy and safety data are limited. The compound's potent antileishmanial activity suggests potential for treating leishmaniasis in animal models. Its binding affinity to 3CL protease indicates possible antiviral activity against SARS-CoV-2 that could be evaluated in animal models of infection. The compound's anti-inflammatory and antipyretic activities suggest potential for treating inflammatory conditions. However, comprehensive in vivo studies are needed to confirm efficacy and establish safety. The compound is intended for research use only and not for human therapeutic applications without appropriate evaluation. Researchers should consult the primary literature for available in vivo data.
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| Enzyme Assay |
For in vitro biochemical assays, niazinin is evaluated for its antileishmanial and antiviral activities. Antileishmanial activity is assessed using parasite viability assays, measuring IC50 values against Leishmania promastigotes or amastigotes. 3CL protease binding affinity is measured using enzyme inhibition assays or surface plasmon resonance. Cytotoxicity against mammalian cells is assessed using MTT or LDH release assays to determine CC50 values. Anti-inflammatory activity is evaluated by measuring inhibition of pro-inflammatory cytokine production or enzyme activities. Antipyretic activity is assessed using assays for fever-related pathways. These cell-free and cell-based assays help characterize the compound's biological activities and selectivity.
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| Cell Assay |
In vitro cellular assays for niazinin are performed using Leishmania parasite cultures and mammalian cell lines. Parasites are cultured in appropriate media and treated with niazinin at various concentrations. Parasite viability is assessed by measuring metabolic activity, counting viable parasites, or using fluorescence-based viability assays. Cytotoxicity against mammalian cells is assessed using MTT or CCK-8 assays to determine the selectivity index. For antiviral activity, cells infected with SARS-CoV-2 or other viruses are treated with niazinin, and viral replication is measured by plaque assays or qPCR. Anti-inflammatory activity is assessed by measuring cytokine production in immune cells. These cellular assays help validate the compound's antiparasitic and antiviral activities and characterize its mechanism of action.
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| Animal Protocol |
In vivo animal experiments with niazinin are limited, as the compound is primarily used as a research tool. If used in animal studies, typical approaches would involve administration via oral gavage, intraperitoneal injection, or intravenous injection. Leishmaniasis models using Leishmania-infected mice could be used to assess antileishmanial efficacy. SARS-CoV-2 infection models could be employed to evaluate antiviral activity. Inflammatory disease models could be used to assess anti-inflammatory and antipyretic activities. Dosing regimens would be determined from pharmacokinetic and tolerability studies. Efficacy endpoints would include parasite load reduction, viral titer reduction, inflammation reduction, and survival. Researchers should consult the primary literature for any available in vivo data.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of niazinin are not extensively documented. As a thiocarbamate glycoside with a molecular weight of approximately 400-500 g/mol, it is expected to have moderate oral bioavailability and good tissue distribution. The glycoside moiety may affect its absorption, distribution, and metabolism. The compound's stability in biological fluids and its metabolic pathways have not been fully characterized. Detailed PK parameters such as half-life, Cmax, Tmax, AUC, volume of distribution, and clearance are not available in the literature. Researchers should consult the primary literature for any available pharmacokinetic data. Formulation development may be required to optimize solubility and bioavailability for in vivo studies.
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| Toxicity/Toxicokinetics |
The toxicological profile of niazinin is partially characterized by its cytotoxicity data. The compound has a CC50 of 31.6 µM against mammalian cells, which is substantially higher than its antileishmanial IC50 of 5.25 μM, indicating a favorable selectivity index. However, comprehensive toxicity studies including acute, subchronic, and chronic toxicity assessments are limited. The compound's thiocarbamate structure may have potential for toxicity, as thiocarbamates can be reactive. The compound is intended for research use only and not for human therapeutic applications without appropriate safety evaluation. Researchers should follow standard laboratory safety practices when handling niazinin.
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| References | |
| Additional Infomation |
Reports have indicated that moringa contains nicotinic acid, and relevant data is available for reference.
Niazinin is a valuable research tool for studying antileishmanial agents, antiviral compounds, and anti-inflammatory agents. Its potent antileishmanial activity with an IC50 of 5.25 μM makes it useful for investigating the mechanisms of action of antileishmanial drugs and developing new therapies for leishmaniasis. Its binding affinity to 3CL protease makes it relevant for antiviral research, particularly for SARS-CoV-2. The compound's anti-inflammatory and antipyretic activities provide opportunities for studying inflammatory pathways. Its thiocarbamate glycoside structure makes it an interesting model for studying structure-activity relationships in natural product-derived compounds. |
| Molecular Formula |
C15H21NO6S
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| Molecular Weight |
343.39534
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| Exact Mass |
343.108
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| CAS # |
147821-57-6
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| PubChem CID |
10088810
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
0.4
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
23
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| Complexity |
390
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| Defined Atom Stereocenter Count |
5
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| SMILES |
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O
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| InChi Key |
ZOIAMMQYAZSWRX-CNJBRALLSA-N
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| InChi Code |
InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23)/t8-,11-,12+,13+,14-/m0/s1
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| Chemical Name |
O-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ≥ 50 mg/mL (145.60 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.28 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: 2.5 mg/mL (7.28 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9121 mL | 14.5603 mL | 29.1206 mL | |
| 5 mM | 0.5824 mL | 2.9121 mL | 5.8241 mL | |
| 10 mM | 0.2912 mL | 1.4560 mL | 2.9121 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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