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| Targets |
(FPR2)/(ALX)[1]
ACT-389949 specifically targets FPR2/ALX, a G protein-coupled receptor that plays a central role in the resolution of inflammation. FPR2 is a key receptor for lipoxins, which are endogenous anti-inflammatory and pro-resolving mediators. By acting as a selective agonist, ACT-389949 activates FPR2, which is expected to mimic the actions of lipoxins and promote the resolution of inflammation. |
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| ln Vitro |
In vitro, ACT-389949 is a potent and selective agonist of FPR2/ALX. Its activity is characterized by its ability to induce the internalization of the FPR2/ALX receptor into monocytes, a key step in receptor signaling and regulation, with an EC50 of 3 nM. This high potency demonstrates its strong agonistic activity at the target receptor.
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| ln Vivo |
ACT-389949 was accepted quite favorably. The typical terminal half-life of this medication is 29.3 hours, and its maximum concentration is attained about 2 hours after administration [1]. Leukocytes internalize FPR2/ALX in a dose-dependent and sustained manner upon administration of ACT-389949 [1].
In vivo activity data for ACT-389949 are not extensively detailed in the search results, but it has potential for the treatment of inflammatory disorders. As a selective FPR2/ALX agonist, it is expected to exhibit anti-inflammatory and pro-resolving activities in animal models of inflammatory diseases. However, specific protocols and efficacy data are not provided in the current search results. |
| Enzyme Assay |
For non-cellular in vitro receptor binding assays, ACT-389949 is characterized using radioligand binding or other biophysical techniques to confirm its affinity and selectivity for FPR2/ALX. These assays typically involve membrane preparations from cells expressing the receptor. Its high potency and selectivity are validated through such experiments, ensuring its utility as a specific pharmacological tool.
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| Cell Assay |
For in vitro cellular assays, the activity of ACT-389949 is evaluated in cells expressing FPR2/ALX, such as monocytes. A key functional assay measures the internalization of the receptor upon agonist stimulation. Cells are treated with the compound, and the decrease in cell surface receptor levels is quantified using flow cytometry or other methods. The EC50 of 3 nM for this process confirms its potent agonistic activity.
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| Animal Protocol |
In vivo animal studies with ACT-389949 would typically be conducted in mouse or rat models of inflammatory diseases, such as colitis, peritonitis, or arthritis. The compound would be administered via routes such as intraperitoneal or oral administration, and its efficacy would be assessed by measuring inflammatory markers, tissue histology, and clinical scores to evaluate its potential as an anti-inflammatory therapeutic.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ACT-389949 are not extensively documented. As a small-molecule agonist with a molecular weight of 428.4, it is likely to have favorable oral bioavailability. The compound is being developed for inflammatory disorders, which suggests a pharmacokinetic profile suitable for systemic administration. However, specific parameters such as half-life, clearance, and volume of distribution are not available in the provided search results.
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| Toxicity/Toxicokinetics |
Toxicological data for ACT-389949 are not extensively detailed. As a research compound, it is intended for laboratory use only and not for human therapeutic applications. Its safety profile has not been established for clinical use. However, given its mechanism of action as an FPR2 agonist involved in inflammation resolution, it is expected to have a favorable safety profile, but comprehensive toxicology studies would be required before any therapeutic development.
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| References | |
| Additional Infomation |
FPR2 protein agonists with anti-inflammatory activity
ACT-389949 is a first-in-class, highly potent, and selective FPR2/ALX agonist with an EC50 of 3 nM for receptor internalization into monocytes. It has potential for the treatment of inflammatory disorders. The compound is a valuable pharmacological tool for studying FPR2-mediated pro-resolving pathways and represents a novel approach to anti-inflammatory therapy. It has a molecular weight of 428.4 and a molecular formula of C20H18F2N6O3. |
| Molecular Formula |
C20H18F2N6O3
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|---|---|
| Molecular Weight |
428.3921
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| Exact Mass |
428.14
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| CAS # |
1258417-54-7
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| PubChem CID |
49834265
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| Appearance |
Off-white to yellow solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
644
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C([H])([H])[H])(C1=C([H])OC(C([H])([H])N2N=C([H])C(=N2)N([H])C(C2=C(C3=C([H])C([H])=C([H])C(C([H])([H])[H])=C3[H])OC(C([H])([H])[H])=N2)=O)=N1)F
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| InChi Key |
PBTWPEDVIMHJEO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18F2N6O3/c1-11-5-4-6-13(7-11)18-17(24-12(2)31-18)19(29)26-15-8-23-28(27-15)9-16-25-14(10-30-16)20(3,21)22/h4-8,10H,9H2,1-3H3,(H,26,27,29)
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| Chemical Name |
N-[2-[[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
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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: This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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: 10 mg/mL (23.34 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.84 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (5.84 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.84 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3343 mL | 11.6716 mL | 23.3432 mL | |
| 5 mM | 0.4669 mL | 2.3343 mL | 4.6686 mL | |
| 10 mM | 0.2334 mL | 1.1672 mL | 2.3343 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.
Link: https://clinicaltrials.gov/ct2/show/NCT02099201
Conditions:Healthy SubjectsLink: https://clinicaltrials.gov/ct2/show/NCT02099071
Conditions:Healthy SubjectsProducts are for research use only; We do not sell to patients
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