| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
TLR7/9, autophagy pathway, and heme polymerase.
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|---|---|
| ln Vitro |
In vitro antiplasmodial activity against P. falciparum (3D7): IC50 = 28 nM (similar to hydroxychloroquine 25 nM). Inhibits TLR9‑induced TNF‑alpha in human PBMCs (IC50 = 0.9 uM). Suppresses autophagy in HeLa cells (LC3‑II accumulation, EC50 = 3 uM).
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| ln Vivo |
In order to measure the amount of chlorotoquine (desethylhydroxychloroquine) in the blood and tissues of BALB/c mice, hydroxychloroquine (5 mg/kg) was intravenously given. It can be inferred that tissues collect chlorotoquine when the tissue to blood concentration ratio (Kp) is less than 1. Liver (114.3), kidney (24.4), spleen (19.3), lung (16.5), heart (5.5) are the tissues with the highest and lowest chlorotoquine Kp ratios, respectively [3].
In P. berghei‑infected mice, cletoquine (20 mg/kg i.p. daily ×4) reduces parasitemia by 98%. In mouse lupus model, 50 mg/kg p.o. reduces autoantibodies and proteinuria (similar efficacy to hydroxychloroquine). Also reduces CHIKV viral load in mouse footpad by 2 log at 25 mg/kg. |
| Enzyme Assay |
Not applicable (metabolite). For formation study: human liver microsomes with hydroxychloroquine (50 uM) + NADPH; cletoquine quantified by LC‑MS. For TLR inhibition: HEK293‑TLR9 reporter cells + CpG ODN (1 uM) +/- cletoquine; SEAP activity.
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| Cell Assay |
Antiviral cell assay: Vero cells infected with CHIKV (MOI 0.1); cletoquine (1-50 uM) added after 1 h; 48 h later, viral RNA by qRT‑PCR; EC50 = 6.2 uM. Cytotoxicity CC50 >100 uM. Plasmodium assay: as above.
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| Animal Protocol |
Mouse CHIKV model: C57BL/6 mice infected subcutaneously with CHIKV (10⁵ PFU); cletoquine (25 mg/kg i.p. b.i.d.) from day -1 to day 3; footpad swelling measured daily; viral load in muscle by plaque assay at day 3.
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| ADME/Pharmacokinetics |
Human oral hydroxychloroquine (400 mg) yields Cmax of cletoquine ~0.3 uM at 4-6 h, t1/2 ~20-30 days (longer than parent). Cletoquine accumulates in lysosomes (high volume of distribution). Excreted via urine and bile.
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| Toxicity/Toxicokinetics |
Similar to hydroxychloroquine but slightly less cardiotoxic in vitro (hERG IC50 8 uM vs 3 uM for HCQ). Retinopathy risk similar due to long half‑life. In rats, LD50 >200 mg/kg. No unique toxicity.
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| References |
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| Additional Infomation |
Not an approved drug; used as a metabolite standard for therapeutic drug monitoring of hydroxychloroquine in lupus and rheumatoid arthritis. Important in pharmacogenetics (CYP2D6 poor metabolizers accumulate less cletoquine, affecting efficacy). Available as an oxalate salt for research.
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| Molecular Formula |
C16H22N3OCL.C2H2O4
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|---|---|
| Molecular Weight |
397.85326
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| Exact Mass |
397.14
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| CAS # |
14142-64-4
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| Related CAS # |
Cletoquine;4298-15-1;Cletoquine-d4;1854126-47-8
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| PubChem CID |
46781036
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.67
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
27
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| Complexity |
364
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
DTVGVTDECKJJJK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H22ClN3O.C2H2O4/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16;3-1(4)2(5)6/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20);(H,3,4)(H,5,6)
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| Chemical Name |
2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol;oxalic acid
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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) |
DMSO : ~5 mg/mL (~12.57 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (4.20 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 16.7 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. Solubility in Formulation 2: ≥ 1.67 mg/mL (4.20 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 16.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5135 mL | 12.5676 mL | 25.1351 mL | |
| 5 mM | 0.5027 mL | 2.5135 mL | 5.0270 mL | |
| 10 mM | 0.2514 mL | 1.2568 mL | 2.5135 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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