| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
The primary target of AQ-13 dihydrochloride is the heme detoxification pathway in Plasmodium parasites. As an aminoquinoline antimalarial, AQ-13 accumulates in the parasite's digestive vacuole and interferes with the polymerization of toxic heme into hemozoin. This leads to the accumulation of toxic heme, which damages the parasite's membranes and causes cell death. The compound has also been identified as a modulator of the Duffy antigen chemokine receptor (ACKR1). The compound's effectiveness against chloroquine-resistant strains suggests that it may overcome resistance mechanisms associated with chloroquine. Further studies are needed to fully characterize its molecular targets.
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| ln Vitro |
In vitro, AQ-13 dihydrochloride demonstrates strong inhibitory activity against chloroquine-resistant strains of Plasmodium falciparum. The compound is effective against drug-resistant strains that have developed resistance to chloroquine diphosphate. AQ-13 is structurally similar to chloroquine but has been designed to overcome resistance mechanisms. The compound's in vitro antimalarial activity can be evaluated using standard parasite growth inhibition assays with various Plasmodium falciparum strains (including chloroquine-sensitive and -resistant strains). IC₅₀ values for parasite growth inhibition are determined from dose-response curves.
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| ln Vivo |
A small decrease in the PCE/RBC ratio was seen in male and female rats treated with CQ and in female rats treated with AQ-13 alone; however, these changes were not statistically significant [1].
In vivo, AQ-13 dihydrochloride has been investigated as a potential treatment for malaria. The compound has been evaluated in animal models of malaria and in clinical studies. AQ-13 is effective against chloroquine-resistant strains of Plasmodium falciparum. The compound is an aminoquinoline agent with potential for the treatment of malaria. Clinical studies have demonstrated its efficacy in malaria patients. The compound's effectiveness against drug-resistant strains makes it a promising candidate for areas with chloroquine resistance. Further in vivo studies are needed to fully characterize its efficacy and safety. |
| Enzyme Assay |
In vitro enzyme/receptor binding studies for AQ-13 dihydrochloride focus on its interactions with heme and parasite targets. The compound's ability to bind heme and inhibit hemozoin formation can be assessed using spectrophotometric assays. Binding to the Duffy antigen chemokine receptor (ACKR1) can be evaluated using receptor binding assays. The compound's effects on parasite enzymes can be assessed using biochemical assays. These methods are for research purposes only. Standard assay conditions include appropriate buffer systems, substrates, and controls.
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| Cell Assay |
In vitro cell-based assays for AQ-13 dihydrochloride evaluate its antimalarial activity. Plasmodium falciparum strains (chloroquine-sensitive and -resistant) are cultured in human red blood cells and treated with serial two-fold dilutions of AQ-13. Parasite growth is assessed by measuring [³H]-hypoxanthine incorporation or by microscopy counting of parasitized red blood cells. IC₅₀ values are determined from dose-response curves. Cytotoxicity against mammalian cell lines is assessed using MTT or other cell viability assays to evaluate selectivity. Standard parasite culture conditions are used with appropriate media and supplementation.
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| Animal Protocol |
In vivo animal studies for AQ-13 dihydrochloride utilize mouse models of malaria. Mice are infected with Plasmodium berghei or P. falciparum-infected humanized mice. AQ-13 is administered via oral or intraperitoneal routes at various doses. Parasitemia is monitored by blood smear microscopy, and survival is recorded. The compound's efficacy is compared to chloroquine and other antimalarials. Pharmacokinetic studies evaluate absorption, distribution, metabolism, and excretion. All procedures must comply with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of AQ-13 dihydrochloride have been characterized in preclinical and clinical studies. The compound is orally bioavailable. AQ-13 has a molecular weight of 364.74 g/mol. The compound is metabolized in the liver and excreted in urine and feces. The half-life is sufficient to support once-daily or twice-daily dosing. AQ-13 is structurally similar to chloroquine but has been designed to overcome resistance mechanisms. The compound's pharmacokinetic profile supports its use as an antimalarial agent.
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| Toxicity/Toxicokinetics |
The toxicity profile of AQ-13 dihydrochloride has been evaluated in preclinical and clinical studies. As an aminoquinoline antimalarial, potential adverse effects may include gastrointestinal disturbances, headache, and dizziness. The compound is for research use only and is not approved for clinical use. Standard safety precautions for handling antimalarial compounds apply, including the use of personal protective equipment and working in a chemical fume hood. Preclinical toxicology studies have assessed maximum tolerated dose and target organ toxicity. The compound should be handled with care due to its biological activity.
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| References | |
| Additional Infomation |
AQ-13 is a 4-aminoquinoline analogue whose potential for treating malaria is currently being investigated.
Additional information: AQ-13 dihydrochloride has the CAS number 169815-40-1 and the UNII PKT9732S5K. The compound has the molecular formula C₁₆H₂₄Cl₃N₃ and a molecular weight of 364.74 g/mol. It is also known as (N1-(7-Chloroquinolin-4-yl)-3-(N3,N3-diethylamino)propylamine) dihydrochloride. AQ-13 is a synthetic aminoquinoline antimalarial agent developed as an alternative to chloroquine, with demonstrated efficacy against drug-resistant strains of Plasmodium falciparum. The compound is effective against chloroquine-resistant strains. AQ-13 is structurally similar to chloroquine diphosphate. The compound has been identified as a modulator of the Duffy antigen chemokine receptor (ACKR1). This product is for research use only and is not approved for clinical or therapeutic applications. |
| Molecular Formula |
C16H24CL3N3
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|---|---|
| Molecular Weight |
364.740860939026
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| Exact Mass |
363.104
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| CAS # |
169815-40-1
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| PubChem CID |
9820475
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
5.709
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
22
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| Complexity |
270
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZNHBPWZRWNFJPN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H22ClN3.2ClH/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16;;/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19);2*1H
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| Chemical Name |
N-(7-chloroquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
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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) |
H2O : ~100 mg/mL (~274.17 mM)
DMSO : ~80 mg/mL (~219.33 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.67 mg/mL (7.32 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 26.7 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: ≥ 2.67 mg/mL (7.32 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 26.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. View More
Solubility in Formulation 3: 2.67 mg/mL (7.32 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (274.17 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7417 mL | 13.7084 mL | 27.4168 mL | |
| 5 mM | 0.5483 mL | 2.7417 mL | 5.4834 mL | |
| 10 mM | 0.2742 mL | 1.3708 mL | 2.7417 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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