| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Malaria parasite Plasmodium falciparum (antiparasitic).
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|---|---|
| ln Vitro |
Strains V1/S and 3D7 are inhibited by N-Desyl amodiaquine diHClide, with IC50 values of 97 nM and 25 nM, respectively [1].
In vitro, N-Desethyl amodiaquine dihydrochloride is an antiparasitic agent. IC50 values against strains V1/S and 3D7 are 97 nM and 25 nM, respectively. It is the bioactive metabolite of amodiaquine. |
| ln Vivo |
In vivo, N-Desethyl amodiaquine dihydrochloride is the primary active metabolite of amodiaquine and contributes to the antimalarial efficacy of the parent drug. It is used in combination with other drugs to treat malaria.
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| Enzyme Assay |
No specific cell-free enzyme/receptor binding assay protocol is detailed for N-Desethyl amodiaquine dihydrochloride. For antimalarial compounds, typical cell-free assays include inhibition of parasite enzyme targets such as hemozoin formation or heme polymerization.
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| Cell Assay |
Cellular antiparasitic activity is assessed in Plasmodium falciparum-infected erythrocytes. Parasitized cells are treated with serial dilutions of N-Desethyl amodiaquine dihydrochloride, and parasite growth inhibition is measured by [3H]hypoxanthine incorporation or microscopic examination. IC50 values are calculated from dose-response curves.
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| Animal Protocol |
In vivo efficacy is evaluated in animal models of malaria or in clinical use of amodiaquine. N-Desethyl amodiaquine is the active metabolite responsible for the antimalarial activity of amodiaquine.
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| ADME/Pharmacokinetics |
Molecular weight: 400.73 g/mol; molecular formula: C18H20Cl3N3O (or C18H18Cl2N3O for the free base). CAS No.: 79049-30-2. IUPAC name: 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride. Appearance: typically a solid. Solubility: soluble in DMSO and water. Storage: typical for small-molecule compounds (desiccated, protected from light).
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| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available for N-Desethyl amodiaquine dihydrochloride itself. As the active metabolite of amodiaquine, its toxicity profile is similar to that of the parent drug, which may include hepatotoxicity and agranulocytosis with prolonged use.
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| References |
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| Additional Infomation |
N-Desethyl amodiaquine dihydrochloride is a research-grade compound and metabolite standard, not approved for therapeutic use as a standalone drug. It is primarily used as a reference standard for analytical method development and pharmacokinetic studies of amodiaquine. It is the major bioactive metabolite of amodiaquine.
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| Molecular Formula |
C18H18N3OCL.2[HCL]
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|---|---|
| Molecular Weight |
400.7299
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| Exact Mass |
399.067
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| Elemental Analysis |
C, 53.95; H, 5.03; Cl, 26.54; N, 10.49; O, 3.99
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| CAS # |
79049-30-2
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| Related CAS # |
N-Desethyl amodiaquine;79352-78-6;N-Desethyl amodiaquine-d5;1173023-19-2
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| PubChem CID |
45358918
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
6.514
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
370
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.ClC1C=C2N=CC=C(C2=CC=1)NC1C=C(CNCC)C(O)=CC=1
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| InChi Key |
BCYBRFGUODDEGH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H18ClN3O.2ClH/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17;;/h3-10,20,23H,2,11H2,1H3,(H,21,22);2*1H
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| Chemical Name |
4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride
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| Synonyms |
N-desethyl Amodiaquine HCl;
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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 (~249.54 mM)
DMSO : ~62.5 mg/mL (~155.97 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.19 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 (5.19 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: 100 mg/mL (249.54 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 | 2.4954 mL | 12.4772 mL | 24.9545 mL | |
| 5 mM | 0.4991 mL | 2.4954 mL | 4.9909 mL | |
| 10 mM | 0.2495 mL | 1.2477 mL | 2.4954 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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