| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
ACT-451840 targets Plasmodium falciparum, the parasite responsible for the most severe form of malaria. The specific molecular target of ACT-451840 is not well-characterized, but it is believed to inhibit parasite growth through a novel mechanism of action. The compound shows activity against both asexual blood stages and gametocytes, suggesting potential for transmission blocking.
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| ln Vitro |
ACT-451840 exhibits a 50% inhibitory concentration of 0.4 nM in relation to the drug-sensitive strain of P. falciparum NF54. In vitro and ex vivo tests, ACT-451840's IC50 value against P. berghei, the murine malaria parasite, is 13.5 nM.
ACT-451840 exhibits potent antimalarial activity against Plasmodium falciparum in vitro. The compound shows low nanomolar IC50 values against both drug-sensitive and drug-resistant strains. ACT-451840 also shows activity against gametocytes, the sexual stage of the parasite responsible for transmission to mosquitoes. Detailed in vitro data including IC50 values against specific strains are not publicly available. |
| ln Vivo |
At 20 mg/kg, ACT-451840 (10 and 60 mg kg) begins to exhibit notable antimalarial effects (reduction of parasites). At 300 mg/kg, ACT-451840 demonstrates curative action, and at 100 mg/kg, it already has strong antimalarial effects. At 30 mg/kg, ACT-451840 exhibits a good decrease with 99.80% activity[2]. In a mouse model of Plasmodium berghei, ACT-451840 demonstrates effectiveness[2].
ACT-451840 has been investigated for the treatment of malaria in animal models and clinical trials. The compound shows efficacy in clearing parasitemia in mouse models of malaria. ACT-451840 has been evaluated in Phase I and Phase II clinical trials for the treatment of malaria. Detailed in vivo efficacy data including clinical trial outcomes are limited in publicly available literature. |
| Enzyme Assay |
In vitro enzyme inhibition assays using recombinant Plasmodium falciparum enzymes. The specific target of ACT-451840 is not well-characterized, but enzyme assays may be performed to identify the mechanism of action. The enzyme is incubated with varying concentrations of ACT-451840, and enzyme activity is measured using appropriate substrates. IC50 values are calculated from dose-response curves.
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| Cell Assay |
In vitro antiparasitic assays using Plasmodium falciparum cultures. Parasites are cultured in human erythrocytes and treated with ACT-451840 at various concentrations (typically 0.1 nM to 10 µM) for 48-72 hours. Parasite viability is assessed by measuring parasite lactate dehydrogenase activity, by flow cytometry using DNA stains, or by microscopic counting of parasitemia. IC50 values are calculated from dose-response curves. Gametocyte activity is assessed using standard gametocyte assays.
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| Animal Protocol |
In vivo studies in mouse models of malaria (e.g., P. berghei or P. falciparum-infected mice). ACT-451840 is administered via various routes (p.o., i.p., or i.v.) at doses determined from preliminary pharmacokinetic studies. Parasitemia is monitored by microscopic examination of blood smears. Survival rates are monitored. Pharmacokinetic parameters including oral bioavailability and half-life are determined. Clinical trials in humans have been conducted to evaluate safety and efficacy.
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| References | |
| Additional Infomation |
ACT-451840 has been used in malaria research trials.
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| Molecular Formula |
C47H54N6O3
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|---|---|
| Molecular Weight |
750.99
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| Exact Mass |
750.425
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| Elemental Analysis |
C, 75.17; H, 7.25; N, 11.19; O, 6.39
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| CAS # |
1839508-99-4
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| Related CAS # |
:1839508-99-4 (racemic);1984890-99-4 (S-isomer);
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| PubChem CID |
53303762
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.23±0.1 g/cm3(Predicted)
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| Boiling Point |
953.8±65.0 °C(Predicted)
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| LogP |
6.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
56
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| Complexity |
1340
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O=C([C@H](CC1C=CC=CC=1)N(C(/C=C/C1C=CC(=CC=1)C(C)(C)C)=O)CC1C=CC(=CC=1)N1CCN(C(C)=O)CC1)N1CCN(CC2C=CC(C#N)=CC=2)CC1
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| InChi Key |
BQZUYCCCNXOADJ-TVNMEPFQSA-N
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| InChi Code |
InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1
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| Chemical Name |
(2E)-N-[[4-(4-Acetyl-1-piperazinyl)phenyl]methyl]-N-[(1S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]-3-[4-(1,1-dimethylethyl)phenyl]-2-propenamide
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| Synonyms |
ACT-451840 ACT 451840ACT451840
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.3316 mL | 6.6579 mL | 13.3158 mL | |
| 5 mM | 0.2663 mL | 1.3316 mL | 2.6632 mL | |
| 10 mM | 0.1332 mL | 0.6658 mL | 1.3316 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT02223871 | Completed Has Results | Drug: ACT-451840: Other: Plasmodium falciparum-infected human erythrocytes: |
Healthy Subjects | Idorsia Pharmaceuticals Ltd. | June 2014 | Phase 1 |
| NCT02186002 | Completed | Drug: ACT-451840 10 mg Drug: ACT-451840 50 mg |
Healthy | Idorsia Pharmaceuticals Ltd. | December 2011 | Phase 1 |
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