| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Malaria parasite Plasmodium falciparum (antiparasitic).
|
|---|---|
| ln Vitro |
Acetyllovastatin N-Desethyl amodiaquine dihydrochloride, with IC50 values of 97 nM and 25 nM, respectively, exhibits inhibitory effects on strains V1/S and 3D7[1].
In vitro, N-Desethyl amodiaquine is an antiparasitic agent with potent activity against Plasmodium falciparum strains. IC50 values against strains V1/S and 3D7 are 97 nM and 25 nM, respectively. It is the major bioactive amodiaquine metabolite. |
| ln Vivo |
In vivo, N-Desethyl amodiaquine is the primary active metabolite of amodiaquine and contributes to the antimalarial efficacy of the parent drug. Detailed dose-response and pharmacokinetic data for the metabolite itself are limited in publicly available literature.
|
| Enzyme Assay |
No specific cell-free enzyme/receptor binding assay protocol is detailed for N-Desethyl amodiaquine. For antimalarial compounds, typical cell-free assays include inhibition of parasite enzyme targets such as hemozoin formation or heme polymerization.
|
| Cell Assay |
Cellular antiparasitic activity is assessed in Plasmodium falciparum-infected erythrocytes. Parasitized cells are treated with serial dilutions of N-Desethyl amodiaquine, and parasite growth inhibition is measured by [3H]hypoxanthine incorporation or microscopic examination. IC50 values are calculated from dose-response curves.
|
| Animal Protocol |
In vivo efficacy is evaluated in animal models of malaria (e.g., Plasmodium-infected mice) or in clinical use of amodiaquine. N-Desethyl amodiaquine is the active metabolite responsible for the antimalarial activity of amodiaquine.
|
| ADME/Pharmacokinetics |
Molecular weight: 327.81 g/mol; molecular formula: C18H18ClN3O. CAS No.: 79352-78-6. Appearance: typically a solid. Solubility: soluble in DMSO. Storage: typical for small-molecule compounds (desiccated, protected from light).
|
| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available for N-Desethyl amodiaquine 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.
|
| References |
|
| Additional Infomation |
N-Desethyl amodiaquine 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 quality control in the production of amodiaquine. It is the major bioactive metabolite of amodiaquine.
|
| Molecular Formula |
C18H18CLN3O
|
|---|---|
| Molecular Weight |
327.8080
|
| Exact Mass |
332.145
|
| Elemental Analysis |
C, 65.95; H, 5.53; Cl, 10.81; N, 12.82; O, 4.88
|
| CAS # |
79352-78-6
|
| Related CAS # |
N-Desethyl amodiaquine dihydrochloride;79049-30-2;N-Desethyl amodiaquine-d5;1173023-19-2;N-Desethyl amodiaquine-d5 dihydrochloride;1216894-33-5
|
| PubChem CID |
122068
|
| Appearance |
Solid powder
|
| Density |
1.304g/cm3
|
| Boiling Point |
477.8ºC at 760 mmHg
|
| Melting Point |
168-174ºC
|
| Flash Point |
242.7ºC
|
| Index of Refraction |
1.69
|
| LogP |
4.91
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
23
|
| Complexity |
370
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC1C=C2N=CC=C(C2=CC=1)NC1C=C(CNCC)C(O)=CC=1
|
| InChi Key |
VRXFDHAGFYWGHT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C18H18ClN3O/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)
|
| Chemical Name |
Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)-
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~305.05 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.63 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 (7.63 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.63 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 | 3.0505 mL | 15.2527 mL | 30.5055 mL | |
| 5 mM | 0.6101 mL | 3.0505 mL | 6.1011 mL | |
| 10 mM | 0.3051 mL | 1.5253 mL | 3.0505 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
