| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Plasmodium
Antimalarial agent 1 targets dihydrofolate reductase (DHFR), an enzyme critical for folate biosynthesis and DNA replication in parasites. By competitively inhibiting DHFR, the compound blocks the conversion of dihydrofolate to tetrahydrofolate, a cofactor required for the synthesis of purines, thymidylate, and certain amino acids. This inhibition disrupts parasite DNA synthesis and cell division, leading to parasite death. The compound has been tested against Plasmodium gallinaceum and shows activity against proguanil-resistant Plasmodium strains, enabling definitive resistance mechanism studies. It also exhibits 7-fold greater potency against Toxoplasma gondii DHFR (IC50 = 0.033 µM) than pyrimethamine. |
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| ln Vitro |
Antimalarial agent 1 has an antimalarial index of 1:40, when tested against Plasmodium gallinaceum[1].
Antimalarial agent 1 demonstrates potent in vitro activity as a DHFR inhibitor. It has an antimalarial index of 1:40 when tested against Plasmodium gallinaceum. The compound’s IC50 against T. gondii DHFR is 0.033 µM, which is approximately 7-fold more potent than pyrimethamine. It is also active against proguanil-resistant Plasmodium strains. In addition to its antimalarial activity, the compound exhibits vibriostatic activity, making it useful for differentiating Vibrio from Aeromonas species in pathogen surveillance. These in vitro activities confirm its potential as an antiparasitic agent and a research tool for studying drug resistance. |
| ln Vivo |
In vivo activity of Antimalarial agent 1 has been evaluated in animal models of malaria and toxoplasmosis. The compound has been tested in Plasmodium gallinaceum-infected avian models, where it demonstrated an antimalarial index of 1:40. Its activity against proguanil-resistant strains suggests it may overcome resistance mechanisms that affect other DHFR inhibitors. The compound’s dual role as an antiparasitic agent and a vibriostatic agent makes it useful for both therapeutic and diagnostic applications. Further in vivo studies in mammalian models are needed to fully characterize its pharmacokinetic and pharmacodynamic profiles.
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| Enzyme Assay |
In vitro enzyme assays for Antimalarial agent 1 involve measuring its inhibition of DHFR activity. These assays typically use recombinant DHFR from Plasmodium or Toxoplasma species. The enzyme is incubated with dihydrofolate substrate and NADPH in the presence of varying concentrations of the compound. The decrease in NADPH oxidation or the production of tetrahydrofolate is measured spectrophotometrically. The IC50 value (e.g., 0.033 µM against T. gondii DHFR) is determined from dose-response curves. These assays confirm the compound’s mechanism as a competitive DHFR inhibitor. The compound’s ability to overcome proguanil resistance can also be assessed using mutant DHFR enzymes.
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| Cell Assay |
In vitro cellular assays for Antimalarial agent 1 are conducted in parasite culture systems, such as Plasmodium falciparum or Toxoplasma gondii-infected cells. Parasites are cultured in appropriate host cells and treated with varying concentrations of the compound. Parasite growth and viability are assessed by measuring incorporation of radiolabeled hypoxanthine or by microscopy. The antimalarial index is determined by comparing the compound’s efficacy against parasite growth with its cytotoxicity in host cells. These assays demonstrate the compound’s selectivity for parasite DHFR over host DHFR. The compound’s vibriostatic activity is assessed in bacterial culture assays.
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| Animal Protocol |
In vivo animal experiments with Antimalarial agent 1 are conducted in rodent or avian models of malaria. Plasmodium gallinaceum-infected chicks have been used to assess the compound’s antimalarial efficacy. The compound is administered orally or by injection at various doses. Parasitemia is monitored by blood smear microscopy, and survival rates are recorded. The antimalarial index of 1:40 was determined in such models. For toxoplasmosis studies, mouse models of acute or chronic infection are used, with parasite burden measured in tissues. These studies help define the compound’s in vivo efficacy, optimal dosing, and potential for resistance development.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic (PK) data for Antimalarial agent 1 are limited. The compound has a molecular weight of 344.31 and is supplied as a phosphate salt. It is soluble in appropriate vehicles for in vivo administration. As a pteridine derivative, it is expected to have reasonable oral bioavailability, but specific PK parameters such as half-life, Cmax, and AUC have not been extensively reported. The compound is primarily used in research settings to study DHFR inhibition and antiparasitic mechanisms. Further PK studies would be needed to support any potential clinical development. Storage recommendations include keeping the compound in a cool, dry place.
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| Toxicity/Toxicokinetics |
Toxicological data for Antimalarial agent 1 are limited. The compound is intended for research use only and is not approved for human therapeutic use. In preclinical studies, the compound has been used at various doses without major adverse effects reported. However, comprehensive toxicological evaluations have not been extensively published. Standard safety assessments such as cytotoxicity assays in relevant cell lines are typically performed alongside efficacy studies to determine the therapeutic window. Further toxicity studies would be required to support any potential clinical development. The compound should be handled with appropriate laboratory safety precautions.
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| References | |
| Additional Infomation |
Antimalarial agent 1 is a research compound used as a DHFR inhibition probe for antimalarial and antiparasitic target engagement studies. It is also known as NSC 98771. The compound is supplied with documented purity levels of ≥98%, making it suitable for reproducible enzyme kinetics and cell-based assays. Its activity against proguanil-resistant Plasmodium strains supports cross-resistance mechanism screening. Additionally, its vibriostatic activity makes it useful for microbial differentiation in food safety research. The compound is available in various pack sizes for research applications. Its mechanism as a competitive DHFR inhibitor positions it as a valuable tool for studying antifolate resistance in parasites.
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| Molecular Formula |
C12H18N6.H3O4P
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|---|---|
| Molecular Weight |
344.30674
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| Exact Mass |
344.136
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| Elemental Analysis |
C, 41.86; H, 6.15; N, 24.41; O, 18.59; P, 9.00
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| CAS # |
84176-65-8
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| Related CAS # |
84176-65-8 (phosphate);3810-29-5;
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| PubChem CID |
264001
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| Appearance |
Solid powder
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| Boiling Point |
441.8ºC at 760 mmHg
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| Melting Point |
232-234ºC(lit.)
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| Flash Point |
251.2ºC
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| LogP |
2.064
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
23
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| Complexity |
332
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=P(O)(O)O.N1C2C(=NC(C(C)C)=C(C(C)C)N=2)C(N)=NC=1N
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| InChi Key |
YNQBQYASRYRNRY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
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| Chemical Name |
2,4-Diamino-6,7-diisopropylpteridine Phosphate
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| Synonyms |
AH 10639; AH-10639; AH10639; Antibiotic O-129; O 129; NSC 98771; NSC-98771; NSC98771; AH10639 phosphate;
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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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~125 mg/mL (~363.04 mM)
H2O : ~2 mg/mL (~5.81 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.04 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 20.8 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: ≥ 2.08 mg/mL (6.04 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9044 mL | 14.5218 mL | 29.0436 mL | |
| 5 mM | 0.5809 mL | 2.9044 mL | 5.8087 mL | |
| 10 mM | 0.2904 mL | 1.4522 mL | 2.9044 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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