| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
IC50: 2.3 μM (5-LOX)[1]
5-LOX-IN-1 targets the enzyme 5-lipoxygenase (5-LOX), a critical enzyme in the biosynthesis of leukotrienes. By inhibiting 5-LOX, it prevents the conversion of arachidonic acid to 5-hydroperoxyeicosatetraenoic acid (5-HPETE), the first step in leukotriene A4 (LTA4) synthesis. This pathway is central to the pathogenesis of various inflammatory diseases, including asthma, arthritis, and certain cancers, making 5-LOX a key target for anti-inflammatory drug discovery. |
|---|---|
| ln Vitro |
5-LOX-IN-1 (0-10 μM) inhibits 5-LOX with an IC50 of 2.3 μM[1].
In vitro, 5-LOX-IN-1 is a potent inhibitor of human 5-lipoxygenase (5-LOX). It demonstrates an IC50 value of 2.3 uM. The compound (0-10 uM) inhibits 5-LOX activity in a concentration-dependent manner. This level of potency positions it as a useful tool for cellular studies where blocking the 5-LOX pathway is desired to dissect its role in inflammatory signaling and carcinogenesis. It is intended for use in cancer research. |
| ln Vivo |
Published in vivo activity data for 5-LOX-IN-1 is not documented in the provided literature. Based on its in vitro activity as a 5-LOX inhibitor, it has the potential to be used in animal models of inflammation, pain, and cancer. In vivo studies would be required to evaluate its efficacy, for example, by measuring its effect on reducing leukotriene production in a mouse model of peritonitis or assessing its impact on tumor growth in a xenograft model.
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| Enzyme Assay |
The in vitro inhibitory potency of 5-LOX-IN-1 is determined using a cell-free enzyme assay. Recombinant human 5-LOX enzyme is incubated in an assay buffer with increasing concentrations of the inhibitor (e.g., 0.01-100 uM). The reaction is initiated by the addition of the substrate arachidonic acid and cofactors (e.g., ATP and Ca2+). After incubation at 25degC for a set period (e.g., 5-10 minutes), the reaction is quenched. The product, 5-HETE, is extracted and quantified by reverse-phase HPLC or UV absorbance, and the IC50 is calculated.
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| Cell Assay |
For cellular assays, cell lines such as human neutrophils or the monocytic cell line THP-1 are pre-incubated with 5-LOX-IN-1 at concentrations of 0-10 uM for 15-30 minutes. Cells are then stimulated with a calcium ionophore like A23187 to activate the 5-LOX pathway. After a defined stimulation period (e.g., 10-30 minutes), the reaction is stopped. The concentration of leukotriene B4 (LTB4) in the cell supernatant is measured using a commercially available ELISA kit to quantify the level of inhibition. Cell viability is assessed via an MTT or LDH assay.
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| Animal Protocol |
In vivo studies for a generic 5-LOX inhibitor follow established protocols. For example, to test efficacy in a mouse air pouch model, animals are treated orally or intraperitoneally with 5-LOX-IN-1 (doses ranging from 10-100 mg/kg). An inflammatory stimulus (e.g., zymosan A) is injected into the air pouch. After several hours, exudate from the pouch is collected to measure leukotriene B4 levels by ELISA. Tissue samples may be collected for histology to assess inflammatory cell infiltration. PK studies would be performed on plasma samples.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for 5-LOX-IN-1 is not publicly available. The compound's molecular weight is 350.43 g/mol. Its solubility in DMSO is high (100 mg/mL). For in vivo studies, a formulation such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline is commonly used to administer lipophilic compounds. Researchers should conduct pilot PK studies to determine key parameters like half-life, Cmax, and oral bioavailability for their specific animal model.
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| Toxicity/Toxicokinetics |
Publicly available toxicology data for 5-LOX-IN-1 is limited. In the in vitro assays used to define its potency (0-10 uM), no overt cytotoxicity is reported, as the readout is the enzymatic activity in cell lysates or supernatants. However, a formal toxicological assessment would be required for any therapeutic use. For research applications, standard laboratory safety guidelines for handling chemical reagents should be followed.
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| References | |
| Additional Infomation |
5-LOX-IN-1 is a research-grade compound and is not approved for clinical use. It is primarily used as a chemical tool to study the biological role of the 5-LOX enzyme in the arachidonic acid cascade. Its primary application is in the fields of inflammation and cancer research. The compound is typically stored as a powder at -20degC, protected from light and moisture. For research use only.
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| Molecular Formula |
C20H18N2O2S
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|---|---|
| Molecular Weight |
350.434123516083
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| Exact Mass |
350.108
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| CAS # |
55040-82-9
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| PubChem CID |
2354998
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
443
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1SC(N2CCOCC2)=NC=1C1=CC=CC=C1)(C1=CC=CC=C1)=O
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| InChi Key |
LHLMRDAASBJJEP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18N2O2S/c23-18(16-9-5-2-6-10-16)19-17(15-7-3-1-4-8-15)21-20(25-19)22-11-13-24-14-12-22/h1-10H,11-14H2
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| Chemical Name |
(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
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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: 100 mg/mL (285.36 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 | 2.8536 mL | 14.2682 mL | 28.5364 mL | |
| 5 mM | 0.5707 mL | 2.8536 mL | 5.7073 mL | |
| 10 mM | 0.2854 mL | 1.4268 mL | 2.8536 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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