| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| 1g | |||
| Other Sizes |
| Targets |
The primary molecular target of Furegrelate is thromboxane synthase, the enzyme responsible for the synthesis of thromboxane A2 (TxA2) in human platelets. It acts by blocking the synthesis of TxA2 with high selectivity, exhibiting an IC₅₀ of 15 nM. The compound targets the Prostaglandin Receptor pathway via GPCR/G protein signaling. This selective inhibition of thromboxane synthase makes Furegrelate a valuable tool for studying platelet aggregation and thrombosis.
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| ln Vitro |
In vitro, Furegrelate inhibits human platelet microsomal thromboxane A2 (TxA2) synthase with an IC₅₀ of 15 nM. This potent and selective inhibition demonstrates its efficacy in blocking thromboxane synthesis at the enzymatic level. The compound's selectivity for thromboxane synthase over other enzymes contributes to its profile as a targeted antiplatelet agent. These in vitro activities support its potential for research into thrombosis and cardiovascular diseases.
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| ln Vivo |
Coronary artery blockage can be avoided by furegrelate (1–5 mg/kg; oral) [1]. Intravenous furegrelate (0.1–5 mg/kg) inhibits platelet aggregation brought on by constricted coronary arteries [1]. Furegrelate primarily prevents hypoxia-induced pulmonary arterial hypertension (PAH) in newborn piglets by preserving the pulmonary arteries' structural integrity [2]. Furegrelate is very selective for target enzymes and has a longer half-life than a number of other medications used to treat PAH, such as nitric oxide and prostacycline analogs [2].
In vivo, Furegrelate (1-5 mg/kg; oral) prevents coronary artery occlusion. Furegrelate (0.1-5 mg/kg; intravenous) prevents platelet aggregation induced by stenosed coronary artery occlusion. It inhibits the development of hypoxia-induced pulmonary arterial hypertension (PAH) in neonatal piglets, primarily by maintaining the structural integrity of pulmonary vessels. Compared to other PAH therapies (including nitric oxide and prostacyclin analogues), Furegrelate has a long half-life and high specificity for its target enzyme. |
| Enzyme Assay |
Typical in vitro assays for Furegrelate involve measuring thromboxane synthase activity in human platelet microsomes. The enzyme is incubated with its substrate and various concentrations of the compound, and TxA2 production is measured by radioimmunoassay or ELISA. IC₅₀ values are calculated from dose-response curves. Selectivity profiling against other enzymes in the prostaglandin pathway can also be performed. These cell-free systems allow for precise characterization of enzyme inhibition kinetics.
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| Cell Assay |
Cellular assays for Furegrelate typically involve human platelets. Platelets are treated with the compound at various concentrations, and thromboxane A2 production is measured after stimulation with agonists such as collagen or thrombin. Platelet aggregation is assessed by aggregometry. These cell-based systems allow for assessment of the compound's antiplatelet efficacy in a physiologically relevant context. The compound's effects on platelet function can be correlated with its enzyme inhibition activity.
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| Animal Protocol |
In vivo animal experiments for Furegrelate involve several models. For coronary artery occlusion studies, animals are treated with Furegrelate orally at 1-5 mg/kg. For platelet aggregation studies, intravenous administration at 0.1-5 mg/kg is used. For pulmonary arterial hypertension studies, neonatal piglets are treated with the compound, and pulmonary vascular structure and function are assessed. These models have demonstrated the compound's efficacy in preventing thrombosis and PAH.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Furegrelate indicate that it is orally bioavailable. Compared to other PAH therapies, Furegrelate has a long half-life. However, detailed ADME parameters including Cmax, Tmax, and bioavailability are not extensively detailed in the available literature. The compound has a molecular weight of 253.25 g/mol, suggesting reasonable oral absorption. Further pharmacokinetic characterization would be needed for therapeutic development.
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| Toxicity/Toxicokinetics |
Toxicological data for Furegrelate are limited. The compound has been studied in animal models at doses up to 5 mg/kg and appears to be well-tolerated. Its high specificity for thromboxane synthase suggests a favorable off-target profile. However, comprehensive toxicological studies including chronic toxicity, genotoxicity, and reproductive toxicity have not been detailed in the available literature. Standard laboratory safety precautions should be followed.
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| References |
[1]. Gorman RR, et al. Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate. Prostaglandins. 1983 Aug;26(2):325-42.
[2]. Hirenallur-S DK, et al. Furegrelate, a thromboxane synthase inhibitor, blunts the development of pulmonary arterial hypertension in neonatal piglets. Pulm Circ. 2012 Apr-Jun;2(2):193-200. |
| Additional Infomation |
5-(3-pyridinemethyl)-2-benzofuran carboxylic acid is a member of the benzofuran class of compounds.
Furegrelate (U-63557A free acid) is a potent, orally available, and selective thromboxane synthase inhibitor with an IC₅₀ of 15 nM. It is being developed as an antiplatelet agent and has demonstrated efficacy in preventing coronary artery occlusion and pulmonary arterial hypertension in animal models. Compared to other PAH therapies, it has a long half-life and high target specificity. The compound is a research tool for studying thrombosis, platelet aggregation, and pulmonary hypertension. It is not approved for any clinical indication. |
| Molecular Formula |
C15H11NO3
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|---|---|
| Molecular Weight |
253.25274
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| Exact Mass |
253.074
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| CAS # |
85666-24-6
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| Related CAS # |
Furegrelate sodium;85666-17-7
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| PubChem CID |
3437
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.322g/cm3
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| Boiling Point |
458.7ºC at 760 mmHg
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| Flash Point |
231.2ºC
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| Index of Refraction |
1.66
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| LogP |
3.116
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
19
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| Complexity |
333
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1C=CC=C(CC2=CC3C=C(C(O)=O)OC=3C=C2)C=1
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| InChi Key |
VHWFITPGPFLBGT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)
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| Chemical Name |
5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic 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 |
| 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 | 3.9487 mL | 19.7433 mL | 39.4867 mL | |
| 5 mM | 0.7897 mL | 3.9487 mL | 7.8973 mL | |
| 10 mM | 0.3949 mL | 1.9743 mL | 3.9487 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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