| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Didesethyl chloroquine targets the heart as a myocardial depressant. As a metabolite of chloroquine, it likely shares some of the parent drug's targets, including inhibition of lysosomal acidification, Toll-like receptor signaling, and autophagy. However, its primary pharmacological effect of note is myocardial depression. The compound's mechanism of action involves effects on cardiac contractility and electrophysiology.
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| ln Vitro |
Didesethyl chloroquine has been studied for its potential therapeutic effects in various diseases including cancer, autoimmune disorders, and viral infections. As the major metabolite of chloroquine, it contributes to the overall pharmacological profile of the parent drug. The compound is a potent myocardial depressant, which is an important consideration for chloroquine's cardiac safety profile. It is used in pharmaceutical research to study the metabolism and pharmacokinetics of chloroquine.
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| ln Vivo |
In vivo studies of Didesethyl chloroquine are conducted in the context of chloroquine metabolism and pharmacokinetics. As the major metabolite of chloroquine, it is formed in vivo following chloroquine administration. Its myocardial depressant effects contribute to the cardiac safety profile of chloroquine. The compound's pharmacokinetic properties, including formation, distribution, and elimination, are studied to understand chloroquine metabolism. The compound is used in pharmacokinetic studies and drug metabolism research.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Didesethyl chloroquine typically involve metabolic stability studies using liver microsomes or hepatocytes to study its formation from chloroquine. The compound can also be used in enzyme inhibition studies to assess its effects on cytochrome P450 enzymes. For receptor binding, the compound's affinity for various targets (e.g., Toll-like receptors) can be assessed using radioligand binding assays. However, the compound is primarily studied as a metabolite rather than a pharmacological agent. IC50 values for various effects are determined in functional assays.
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| Cell Assay |
For in vitro cell-based assays, various cell lines are cultured in appropriate media. Cells are treated with Didesethyl chloroquine at concentrations ranging from 0.1-100 μM for 24-72 hours. Cell viability is assessed by MTT or CCK-8 assays. For studies of myocardial depression, cardiomyocytes are treated with the compound and contractility or electrophysiological properties are measured. Autophagy inhibition can be assessed by measuring LC3-II levels by Western blot. Toll-like receptor signaling inhibition is assessed by measuring cytokine production in immune cells. The compound's effects on lysosomal pH can be measured using fluorescent pH indicators.
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| Animal Protocol |
In vivo animal studies with Didesethyl chloroquine are limited, as the compound is primarily studied as a metabolite of chloroquine. Cardiovascular studies in animal models can be used to assess the compound's myocardial depressant effects. Hemodynamic parameters including blood pressure, heart rate, and cardiac contractility are measured following administration. Pharmacokinetic studies assess the formation and elimination of the metabolite following chloroquine administration. Tissue distribution studies determine the accumulation of the metabolite in various organs.
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| ADME/Pharmacokinetics |
Metabolism/Metabolites
N,N-Dideethylchloroquinone is a known human metabolite of monodeethylchloroquine. Didesethyl chloroquine has a molecular weight of 263.77 g/mol and molecular formula C14H18ClN3. IUPAC name: 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine. The compound is a metabolite of chloroquine. Pharmacokinetic properties are similar to other chloroquine metabolites, with extensive tissue distribution and slow elimination. The compound is primarily excreted via urine. It is used as a research reagent for pharmacokinetic and metabolic studies. |
| Toxicity/Toxicokinetics |
Didesethyl chloroquine is a potent myocardial depressant, which contributes to the cardiac toxicity of chloroquine at high doses. The compound's cardiac effects include negative inotropic effects (reduced contractility) and potential arrhythmogenic effects. At the concentrations typically used in research, the compound should be handled with appropriate precautions. The compound is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
Didesethyl chloroquine (Bisdesethylchloroquine) is the major metabolite of the antimalarial agent Chloroquine. It has a molecular weight of 263.77 g/mol and molecular formula C14H18ClN3. The compound is a potent myocardial depressant. It is used in pharmaceutical research to study the metabolism and pharmacokinetics of chloroquine and has been studied for potential therapeutic effects in various diseases including cancer, autoimmune disorders, and viral infections. Didesethyl chloroquine is not FDA-approved and is intended for research use only.
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| Molecular Formula |
C14H18N3CL
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| Molecular Weight |
263.76582
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| Exact Mass |
263.119
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| CAS # |
4298-14-0
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| Related CAS # |
Didesethyl chloroquine-d4;1215797-41-3
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| PubChem CID |
122672
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.208g/cm3
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| Boiling Point |
441.4ºC at 760 mmHg
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| Melting Point |
139-141ºC
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| Flash Point |
220.8ºC
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| Index of Refraction |
1.64
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
18
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| Complexity |
249
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GYEDIFVVTRKXHP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)
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| Chemical Name |
4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
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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) |
DMSO : ~100 mg/mL (~379.12 mM)
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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 | 3.7912 mL | 18.9559 mL | 37.9118 mL | |
| 5 mM | 0.7582 mL | 3.7912 mL | 7.5824 mL | |
| 10 mM | 0.3791 mL | 1.8956 mL | 3.7912 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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