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| Targets |
The primary targets of Nithiamide include various parasitic and bacterial enzymes. It is active against Giardia intestinalis and Trichomonas vaginalis, with IC50 values of 0.49 and 0.022 μM, respectively. Nithiamide achieved an IC50 of 122 nM, representing a 44-fold improvement over metronidazole (IC50 = 5.4 μM) and a 10-fold improvement over nitazoxanide (IC50 = 1.2 μM). The compound also inhibits USP1/UAF1 and effectively blocks the entry of the Ebola virus, with AC50 values ranging from 1.122 μM to 39.81 μM. Its mechanism of action is distinct from that of 5-nitroimidazole drugs, making it valuable for studying drug resistance. The compound's activity against multiple targets suggests it may have a multi-faceted mechanism of action.
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| ln Vitro |
In vitro, Nithiamide demonstrates potent antiprotozoal activity. It is active against Giardia intestinalis and Trichomonas vaginalis with IC50 values of 0.49 and 0.022 μM, respectively. Nithiamide achieved an IC50 of 122 nM, representing a 44-fold improvement over metronidazole (IC50 = 5.4 μM) and a 10-fold improvement over nitazoxanide (IC50 = 1.2 μM). The compound inhibits USP1/UAF1 and effectively blocks the entry of the Ebola virus, with AC50 values ranging from 1.122 μM to 39.81 μM. Nithiamide demonstrates promising antimicrobial activity, particularly against Trichomonas vaginalis and Giardia intestinalis, with IC50 values in the low nanomolar range. Its activity is typically measured using growth inhibition assays in parasite cultures.
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| ln Vivo |
In vivo, Nithiamide (0.05% in the diet) reduces mortality in a turkey model of histomoniasis. This demonstrates the compound's efficacy in an animal model of parasitic infection. The compound's activity against metronidazole-resistant strains suggests that it may be useful for treating infections that are refractory to standard therapies. While specific in vivo efficacy data are limited, the compound's in vitro potency and activity in the turkey model indicate that it has therapeutic potential. The compound's distinct nitroheterocyclic scaffold may offer advantages in terms of activity against resistant strains.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Nithiamide involve enzyme inhibition assays using purified enzymes or cell lysates. The compound's inhibitory activity against USP1/UAF1 is measured by monitoring the deubiquitination activity of the enzyme in the presence of varying concentrations of Nithiamide. IC50 or AC50 values are determined from dose-response curves. The compound's ability to block Ebola virus entry can be assessed using pseudotyped virus entry assays. These assays confirm that Nithiamide engages its targets and produces the expected inhibition of enzyme activity and viral entry.
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| Cell Assay |
In vitro cellular assays for Nithiamide are conducted in parasite cultures, including Giardia intestinalis and Trichomonas vaginalis. Parasites are cultured in the presence of varying concentrations of Nithiamide, and parasite viability or growth is assessed using microscopy, metabolic assays, or counting methods. IC50 values are determined from dose-response curves. The compound's activity against metronidazole-resistant strains can be assessed using resistant parasite lines. Ebola virus entry assays are performed using cell lines infected with pseudotyped viruses. These assays confirm that Nithiamide engages its targets in a cellular context and produces the expected antimicrobial and antiviral effects.
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| Animal Protocol |
In vivo animal studies for Nithiamide are conducted in the turkey model of histomoniasis. Turkeys are infected with Histomonas meleagridis and then treated with Nithiamide at 0.05% in the diet. Mortality rates are monitored and compared to untreated infected controls. The compound's ability to reduce mortality is assessed. These studies confirm that Nithiamide is effective in vivo and provide information about its therapeutic potential for parasitic infections. Pharmacokinetic studies would be required to determine the compound's bioavailability, half-life, and tissue distribution.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Nithiamide indicate that it has a molecular weight of 187.18 and a molecular formula of C5H5N3O3S. The compound is soluble in DMSO at 37 mg/mL (197.67 mM), facilitating its use in in vitro assays. For storage, the powder should be kept under appropriate conditions to maintain stability. Its purity is typically >98% (HPLC). The compound's nitrothiazole scaffold distinguishes it from other nitroheterocyclic drugs. Its physicochemical properties suggest that it has reasonable drug-like characteristics for oral administration.
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| Toxicity/Toxicokinetics |
Toxicological information for Nithiamide is derived from its use as a veterinary antibiotic. As a nitroheterocyclic compound, it may have potential for genotoxicity and carcinogenicity, although these effects are not well-characterized. The compound's distinct scaffold from 5-nitroimidazoles may offer a different safety profile. Comprehensive toxicology studies would be required for therapeutic development, including assessments of genotoxicity, carcinogenicity, and organ toxicity. The compound's use as a veterinary antibiotic suggests that it has been evaluated for safety in animals.
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| References | |
| Additional Infomation |
Aminitrozole is an aromatic amide, belonging to the acetamide class of compounds. Nitidil is an oral antimicrobial drug used to treat trichomoniasis.
Nithiamide (2-acetylamino-5-nitrothiazole; Aminitrozole) is a nitrothiazole-based acetamide antiprotozoal and veterinary antibiotic agent. It is active against G. intestinalis and T. vaginalis (IC50s = 0.49 and 0.022 μM, respectively). Nithiamide achieved an IC50 of 122 nM, representing a 44-fold improvement over metronidazole. Unlike 5-nitroimidazoles, it retains activity against metronidazole-resistant strains. Nithiamide is not approved for human clinical use and is available from research chemical suppliers for preclinical studies. |
| Molecular Formula |
C5H5N3O3S
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| Molecular Weight |
187.17
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| Exact Mass |
187.005
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| Elemental Analysis |
C, 32.09; H, 2.69; N, 22.45; O, 25.64; S, 17.13
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| CAS # |
140-40-9
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| PubChem CID |
8798
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| Appearance |
Solid powder
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| Density |
1.598g/cm3
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| Boiling Point |
303.8ºC at 760mmHg
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| Melting Point |
263°C (dec.)
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| Flash Point |
137.5ºC
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| Vapour Pressure |
0.000911mmHg at 25°C
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| Index of Refraction |
1.666
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| LogP |
1.605
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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 |
1
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| Heavy Atom Count |
12
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| Complexity |
205
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C(=C([H])N=C1N([H])C(C([H])([H])[H])=O)[N+](=O)[O-]
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| InChi Key |
UJRRDDHEMZLWFI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)
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| Chemical Name |
2-Acetamido-5-nitrothiazole
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| Synonyms |
Nithiamide; NSC 45914; NSC-45914; NSC45914
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| HS Tariff Code |
2934.99.03.00
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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 : ~100 mg/mL (~534.25 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.36 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 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 (13.36 mM) (saturation unknown) 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. 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 | 5.3427 mL | 26.7137 mL | 53.4274 mL | |
| 5 mM | 1.0685 mL | 5.3427 mL | 10.6855 mL | |
| 10 mM | 0.5343 mL | 2.6714 mL | 5.3427 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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