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| Targets |
RYL-552 targets Plasmodium falciparum NADH dehydrogenase 2 (PfNDH2), an enzyme essential for the parasite's mitochondrial electron transport chain. It acts as an allosteric inhibitor of PfNDH2. The compound also shows potential activity against other targets such as cytochrome bc1 and dihydroorotate dehydrogenase (DHODH), but PfNDH2 is the primary target for its antimalarial effect.
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| ln Vitro |
RYL-552 is a potent inhibitor of PfNDH2, with excellent in vitro activity against Plasmodium falciparum, including drug-resistant strains. It exhibits EC50 values in the low nanomolar range against multiple parasite lines. The compound disrupts mitochondrial function and energy production, leading to parasite death. Its potency and selectivity make it a promising antimalarial candidate.
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| ln Vivo |
RYL-552 exhibits excellent potency against parasite-infected mice in vivo. In murine models of malaria, it reduces parasitemia and improves survival. It has demonstrated efficacy against drug-resistant strains, indicating a favorable resistance profile. The compound is orally bioavailable and shows dose-dependent activity, supporting its potential as a therapeutic antimalarial agent.
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| Enzyme Assay |
The in vitro activity of RYL-552 is assessed using enzyme inhibition assays with purified recombinant PfNDH2. The compound's ability to inhibit NADH dehydrogenase activity is measured spectrophotometrically by monitoring the reduction of a quinone substrate. IC50 values are calculated from dose-response curves. Selectivity against mammalian homologs is also evaluated to confirm specificity.
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| Cell Assay |
Cell-based assays are used to evaluate RYL-552's antimalarial activity. Plasmodium falciparum cultures (e.g., 3D7 or drug-resistant strains) are treated with various concentrations of RYL-552, and parasite growth is measured by [³H]-hypoxanthine incorporation or SYBR Green fluorescence. The EC50 is determined from dose-response curves. Cytotoxicity against mammalian cells (e.g., HepG2) is also assessed to determine selectivity.
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| Animal Protocol |
RYL-552 has been evaluated in mouse models of malaria, typically using the Plasmodium berghei or P. falciparum SCID mouse model. Infected mice are treated orally or intraperitoneally with RYL-552 at various doses. Parasitemia is monitored by blood smears, and survival is recorded. Pharmacodynamic studies measure compound levels in blood and target engagement in parasites.
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| ADME/Pharmacokinetics |
RYL-552 has a molecular weight of 427.39 and a molecular formula of C24H17F4NO2. The IUPAC name is 5-Fluoro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one. It is soluble in DMSO and should be stored at -20°C, protected from light. Purity is typically >98% by HPLC. The compound is a research-grade antimalarial agent.
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| Toxicity/Toxicokinetics |
RYL-552 is a research compound with an unknown full toxicological profile. In mouse efficacy studies, it is tolerated at therapeutic doses without overt toxicity. As a mitochondrial ETC inhibitor, it may have off-target effects on mammalian mitochondria at high concentrations. Standard safety precautions, including use of personal protective equipment, are recommended when handling this compound.
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| References | |
| Additional Infomation |
RYL-552 (CAS#: 1801444-56-3) is a substituted quinolone allosteric inhibitor of Plasmodium falciparum NADH dehydrogenase 2 (PfNDH2), a type II NADH:quinone oxidoreductase essential for parasite mitochondrial electron transport. It exhibits potent antimalarial activity against drug-resistant strains both in vitro and in vivo. RYL-552 is a valuable research tool for studying malaria parasite metabolism and for developing new antimalarial therapies. It is intended for research use only and not for human therapeutic applications.
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| Molecular Formula |
C24H17F4NO2
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| Molecular Weight |
427.390900373459
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| Exact Mass |
427.119
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| CAS # |
1801444-56-3
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| PubChem CID |
124222414
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| Appearance |
White to off-white solid powder
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| LogP |
6.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
31
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| Complexity |
676
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1C2=C(C(F)=CC=C2)C(=O)C(C)=C1C1=CC=C(CC2=CC=C(OC(F)(F)F)C=C2)C=C1
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| InChi Key |
OPUNZJHITPCTFC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H17F4NO2/c1-14-22(29-20-4-2-3-19(25)21(20)23(14)30)17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)31-24(26,27)28/h2-12H,13H2,1H3,(H,29,30)
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| Chemical Name |
5-fluoro-3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
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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 : ~50 mg/mL (~116.99 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 | 2.3398 mL | 11.6989 mL | 23.3978 mL | |
| 5 mM | 0.4680 mL | 2.3398 mL | 4.6796 mL | |
| 10 mM | 0.2340 mL | 1.1699 mL | 2.3398 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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