| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
Desmethyl ferroquine targets the hemozoin formation process within the Plasmodium falciparum parasite, similar to chloroquine. It accumulates in the parasite's acidic digestive vacuole and inhibits the detoxification of heme into hemozoin. The presence of the ferrocene group is believed to induce oxidative stress, contributing to its antiplasmodial mechanism against chloroquine-resistant strains.
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| ln Vitro |
Differentiproquin's apparent terminal half-life is calculated to be 15.9 days. Desmethylferroquine (DMFQ), a significant metabolite that is equally active, has a longer half-life of t1/2z, with an overall mean estimate of 31.4 days [1].
In vitro, Desmethyl ferroquine shows significant activity against both chloroquine-susceptible and chloroquine-resistant P. falciparum strains. It is significantly more effective than chloroquine at preventing parasite growth. The compound also possesses antiviral activity and acts as a potent coronavirus Mpro inhibitor, widely used for replication inhibition research. |
| ln Vivo |
No specific in vivo activity data is available for Desmethyl ferroquine alone, as it is primarily studied as the active metabolite of Ferroquine. In clinical pharmacokinetic studies of Ferroquine, this metabolite has an extremely long terminal half-life of approximately 31.4 days, longer than the parent drug's 15.9 days, suggesting potential for sustained antimalarial effect in vivo.
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| Enzyme Assay |
For in vitro enzyme inhibition assays (protease inhibition mechanism study): Prepare Desmethyl ferroquine stock solutions in DMSO (10 mM) and dilute in assay buffer. Use the compound to study coronavirus Mpro inhibition. For enzymatic inhibition screening, it is commonly employed to validate high-throughput inhibitor assays. It acts as a potent Mpro inhibitor for replication inhibition research.
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| Cell Assay |
For in vitro antiviral assays: Use Vero cells infected with SARS-CoV. Treat cells with Desmethyl ferroquine at various concentrations. Measure antiviral activity after appropriate incubation. For antiplasmodial assays: Culture P. falciparum (3D7 or W2 strains) in human red blood cells. Treat with the compound and measure parasite growth inhibition after 48-72 hours using HRP2 ELISA or microscopy.
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| Animal Protocol |
For viral protease research: This compound exhibits selective inhibition of SARS-CoV protease, used to evaluate protease substrate specificity and catalytic blockade. It can be co-applied with RdRp inhibitors or entry blockers to study complementary suppression of viral replication cycles. No specific animal protocol exists for this metabolite alone.
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| ADME/Pharmacokinetics |
Desmethyl ferroquine has an extremely long terminal half-life of approximately 31.4 days in humans. The compound has moderate solubility, with DMSO solubility at 2.5 mg/mL (5.96 mM) requiring ultrasonic assistance, and water solubility at 1 mg/mL (2.38 mM) requiring ultrasonic warming and heat to 80degC. It should be stored as a powder at -20degC. For in vivo solubility, it can be formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available for this metabolite. Resistance develops via protease binding-site substitutions that impair inhibitor occupancy without halting proteolysis. Common mutations at S1/S2 subsites and catalytic periphery reduce susceptibility. Cross-resistance is observed with protease inhibitors sharing the same pocket. Standard laboratory safety practices should be followed when handling this compound.
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| References | |
| Additional Infomation |
Desmethyl ferroquine is a research-grade compound intended for laboratory use only, not for therapeutic applications. It serves as a structural benchmark in computational antiviral docking and optimization. The compound should be stored at -20degC, protected from humidity and light. Solution preparation involves dissolving in DMSO to 10 mM, then diluting immediately into buffer before experiments. Avoid multiple freeze-thaw cycles and aliquot upon receipt. No clinical trials have been conducted with this metabolite alone, though its parent drug Ferroquine has undergone clinical evaluation.
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| Molecular Formula |
C22H22CLFEN3
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|---|---|
| Molecular Weight |
419.7282
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| Exact Mass |
419.085
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| CAS # |
903546-18-9
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| PubChem CID |
146048063
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
337
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Fe+2].ClC1C([H])=C([H])C2C(C=1[H])=NC([H])=C([H])C=2N([H])C([H])([H])[C-]1C([H])=C([H])C([H])=C1C([H])([H])N([H])C([H])([H])[H].[C-]1([H])C([H])=C([H])C([H])=C1[H]
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| InChi Key |
AKDMMOAFGKYNKP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H17ClN3.C5H5.Fe/c1-19-10-12-3-2-4-13(12)11-21-16-7-8-20-17-9-14(18)5-6-15(16)17;1-2-4-5-3-1;/h2-9,19H,10-11H2,1H3,(H,20,21);1-5H;/q2*-1;+2
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| Chemical Name |
7-chloro-N-[[2-(methylaminomethyl)cyclopenta-1,4-dien-1-yl]methyl]quinolin-4-amine;cyclopenta-1,3-diene;iron(2+)
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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 : ~2.5 mg/mL (~5.96 mM)
H2O : ~1 mg/mL (~2.38 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 | 2.3825 mL | 11.9124 mL | 23.8248 mL | |
| 5 mM | 0.4765 mL | 2.3825 mL | 4.7650 mL | |
| 10 mM | 0.2382 mL | 1.1912 mL | 2.3825 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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