| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Atreleuton racemic targets both cyclooxygenase (COX) and 5-lipoxygenase (5-LO), key enzymes in the arachidonic acid pathway that produce prostaglandins, thromboxanes, and leukotrienes. By inhibiting both enzymes, the compound blocks the production of multiple inflammatory mediators. This dual inhibition provides a broader anti-inflammatory effect compared to agents that target only one pathway. The racemic mixture contains both enantiomers of Atreleuton.
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|---|---|
| ln Vitro |
COX/5-LO-IN-1 can be used to treat inflammatory and allergic disease states because it decreases the biosynthesis of leukotrienes B4, C4, D4, and E4 as well as cyclooxygenase products like prostaglandins and thromboxane [1]. In human whole blood, COX/5-LO-IN-1 exhibits inhibitory activity against 5-lipoxygenase, with an IC50 of 0.2 μM [2].
In vitro studies demonstrate that Atreleuton racemic inhibits both COX and 5-LO activity. The compound shows potent inhibition of arachidonic acid metabolism, reducing the production of prostaglandins and leukotrienes. Specific IC50 values for COX and 5-LO inhibition have been reported, confirming its dual inhibitory activity. The compound's efficacy in various inflammatory assays has been characterized. |
| ln Vivo |
In vivo studies in animal models of inflammation and allergy demonstrate that Atreleuton racemic has anti-inflammatory and anti-allergic activity. The compound has been evaluated in models of asthma, arthritis, and other inflammatory conditions. Its dual COX/5-LO inhibition provides therapeutic effects that may be superior to single-pathway inhibitors. Specific efficacy parameters have been characterized in various disease models.
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| Enzyme Assay |
Enzyme inhibition assays for Atreleuton racemic involve measuring COX and 5-LO activity using purified enzymes or cell-based systems. COX activity is measured by the conversion of arachidonic acid to prostaglandins, while 5-LO activity is measured by the conversion of arachidonic acid to leukotrienes. The compound's ability to inhibit these enzymes is quantified to determine IC50 values.
|
| Cell Assay |
In vitro cell-based assays involve inflammatory cells (e.g., macrophages, neutrophils, mast cells) stimulated with calcium ionophore or other agonists to activate the arachidonic acid pathway. Cells are treated with Atreleuton racemic, and the production of prostaglandins, leukotrienes, and other inflammatory mediators is measured by ELISA or LC-MS. The compound's anti-inflammatory activity is quantified.
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| Animal Protocol |
In vivo anti-inflammatory studies are conducted in animal models of inflammation (e.g., carrageenan-induced paw edema, zymosan-induced peritonitis). Atreleuton racemic is administered orally or intraperitoneally, and inflammatory parameters such as paw swelling, leukocyte infiltration, and mediator levels are measured. In asthma models, airway hyperresponsiveness and inflammation are assessed.
|
| References |
| Molecular Formula |
C16H15FN2O2S
|
|---|---|
| Molecular Weight |
318.365906000137
|
| Exact Mass |
318.083
|
| Elemental Analysis |
C, 60.36; H, 4.75; F, 5.97; N, 8.80; O, 10.05; S, 10.07
|
| CAS # |
154355-75-6
|
| Related CAS # |
154355-75-6 (racemic);154355-76-7;
|
| PubChem CID |
9883481
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
2.7
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
454
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O
|
| InChi Key |
MMSNEKOTSJRTRI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)
|
| Chemical Name |
1-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
|
| Synonyms |
ABT-761-racemic; COX/5-LO-IN-1; 154355-75-6; Atreleuton racemic; 1-(4-(5-(4-Fluorobenzyl)thiophen-2-yl)but-3-yn-2-yl)-1-hydroxyurea; CHEMBL144028; Atreleuton racemic; ABT761-racemic; ABT 761-racemic
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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 | 3.1410 mL | 15.7050 mL | 31.4100 mL | |
| 5 mM | 0.6282 mL | 3.1410 mL | 6.2820 mL | |
| 10 mM | 0.3141 mL | 1.5705 mL | 3.1410 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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