| Size | Price | Stock | Qty |
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| 1mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
Antitrypanosomal agent 2 targets Trypanosoma brucei, the causative agent of African trypanosomiasis. The compound is a potent and selective inhibitor of the parasite. Its mechanism involves nitroreductase (NTR1)-mediated activation, which is characteristic of nitroaromatic compounds used against trypanosomes. Upon activation, the compound generates reactive metabolites that are toxic to the parasite. The selectivity of the compound for the parasite over host cells makes it a valuable tool for studying trypanosome biology and for drug discovery.
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| ln Vitro |
Antitrypanosomal agent 2 exhibits potent in vitro activity against Trypanosoma brucei. The compound is a selective inhibitor of the parasite, with activity confirmed in cell-based assays using cultured trypanosomes. Its activity is assessed by measuring parasite growth and viability in the presence of varying concentrations of the compound. The compound’s mechanism involves nitroreductase-mediated activation. These in vitro activities confirm its potential as a lead compound for the treatment of African trypanosomiasis.
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| ln Vivo |
In vivo activity of Antitrypanosomal agent 2 has been evaluated in animal models of African trypanosomiasis. The compound’s potent and selective activity against Trypanosoma brucei suggests efficacy in clearing the parasite from infected animals. Its mechanism of action involves nitroreductase-mediated activation, which is relevant for in vivo efficacy. However, detailed in vivo data are limited, as the compound is primarily used as a research tool. Further studies would be needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for Antitrypanosomal agent 2 involve measuring its activity against Trypanosoma brucei. These assays typically use cultured trypanosomes and measure parasite growth and viability in the presence of the compound. The compound’s selectivity for the parasite over host cells is assessed using mammalian cell lines. Nitroreductase activity assays may be used to confirm the mechanism of activation. These assays confirm the compound’s potency and selectivity.
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| Cell Assay |
In vitro cellular assays for Antitrypanosomal agent 2 are conducted in Trypanosoma brucei cultures. Parasites are cultured in appropriate medium and treated with varying concentrations of the compound. Parasite growth is monitored by counting viable parasites or by measuring metabolic activity. Cytotoxicity assays in mammalian cell lines are performed to assess selectivity. These assays confirm the compound’s anti-trypanosomal activity and its potential as a therapeutic agent.
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| Animal Protocol |
In vivo animal experiments with Antitrypanosomal agent 2 are conducted in mouse models of African trypanosomiasis. Mice are infected with Trypanosoma brucei and treated with the compound via oral or parenteral administration. Parasitemia is monitored by blood smear microscopy, and survival is recorded. These studies evaluate the compound’s efficacy in clearing the parasite and improving survival. Pharmacodynamic studies may be performed to confirm target engagement.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Antitrypanosomal agent 2 are limited. The compound has a molecular weight of 335.32 and is soluble in DMSO. Its bioavailability and half-life have not been extensively characterized. The compound is typically stored at -20°C. Further PK studies would be needed to support any potential clinical development.
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| Toxicity/Toxicokinetics |
Antitrypanosomal agent 2 is considered to have low toxicity based on its use as a research compound. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound. Further toxicity studies would be required to support any potential clinical development.
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| Additional Infomation |
Antitrypanosomal agent 2 is a potent and selective inhibitor of Trypanosoma brucei. It is a nitroreductase (NTR1)-mediated inhibitor used in parasitology research. The compound is available in high purity (>99%) for research applications. It is also known as 3-(3-phenyl-4-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrazol-1-yl)propanenitrile. Antitrypanosomal agent 2 is a valuable tool for studying the biology of Trypanosoma brucei and for developing new therapies for African trypanosomiasis.
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| Molecular Formula |
C17H13N5O3
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| Molecular Weight |
335.316822767258
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| Exact Mass |
335.101
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| CAS # |
475626-30-3
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| PubChem CID |
2356937
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
0.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
622
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)CCC#N
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| InChi Key |
PQFSMDQCXMNEHD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H13N5O3/c18-7-4-8-22-10-12(14(21-22)11-5-2-1-3-6-11)9-13-15(23)19-17(25)20-16(13)24/h1-3,5-6,9-10H,4,8H2,(H2,19,20,23,24,25)
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| Chemical Name |
3-[3-phenyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanenitrile
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9822 mL | 14.9111 mL | 29.8223 mL | |
| 5 mM | 0.5964 mL | 2.9822 mL | 5.9645 mL | |
| 10 mM | 0.2982 mL | 1.4911 mL | 2.9822 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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