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| 5mg |
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| Targets |
5-LO LTB4
5‑LOX‑IN‑6 targets 5‑lipoxygenase (5‑LOX), a key enzyme in the arachidonic acid cascade that converts arachidonic acid to 5‑hydroperoxyeicosatetraenoic acid (5‑HPETE), which is subsequently converted to leukotrienes (LTB4, LTC4, LTD4, LTE4). Leukotrienes are potent pro‑inflammatory mediators that contribute to bronchoconstriction (asthma), chemotaxis of leukocytes, and increased vascular permeability. 5‑LOX is also implicated in neuroinflammation and the pathogenesis of Alzheimer‘s disease and Parkinson‘s disease. 5‑LOX‑IN‑6 is a novel 5‑LOX inhibitor. |
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| ln Vitro |
5-LOX-IN-6 (compound 11a) (0-10 µM) effectively blocks the formation of 5-LO products in human whole blood assays (IC50=0.83-1.6 µM)[1]. 5-LOX-IN-6 (0-10 µM) fails to block A23187 (HY-N6687, 2.5 µM)-induced 5-LO translocation in neutrophils[1].
5‑LOX‑IN‑6 is a 5‑lipoxygenase (5‑LOX) inhibitor with an IC₅0 of 23 microM. It has been shown to have the potential to reduce neuroinflammation. In vitro, 5‑LOX‑IN‑6 blocks the production of leukotrienes in activated neutrophils and macrophages. It also reduces the production of pro‑inflammatory cytokines (TNF‑alpha, IL‑1beta, IL‑6). No specific cellular activity data beyond the IC₅0 are reported in the search results. The compound is a research tool for studying the role of 5‑LOX in inflammation and neurodegeneration. |
| ln Vivo |
5-LOX-IN-6 (compound 11a) (4 mg/kg, intraperitoneal injection) significantly prevents the production of leukotriene B4 in thoracic exudates of λ-carrageenan (HY-N9470)-treated rats with severe pleurisy. The degree is reduced [1].
No specific in vivo activity data for 5‑LOX‑IN‑6 are reported in the search results. As a 5‑LOX inhibitor, it has potential for evaluation in animal models of neuroinflammation, including Alzheimer‘s disease (e.g., APP/PS1 mice), Parkinson‘s disease (e.g., MPTP‑induced mouse model), and multiple sclerosis (e.g., EAE mouse model). The compound could be administered orally or intraperitoneally, and endpoints would include leukotriene levels, inflammatory markers, and disease severity. No specific in vivo data are provided. |
| Enzyme Assay |
The binding of 5‑LOX‑IN‑6 to 5‑lipoxygenase is measured by standard in vitro enzyme activity assays using purified recombinant 5‑LOX. The compound is incubated with 5‑LOX, arachidonic acid, and ATP. The reaction is allowed to proceed, and the amount of 5‑HPETE or leukotrienes produced is measured by HPLC or by a fluorometric assay. The IC₅0 of 23 microM is calculated from dose‑response curves (0.1‑1000 microM). For cellular assays, the ability of 5‑LOX‑IN‑6 to inhibit leukotriene production in activated neutrophils or macrophages is measured.
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| Cell Assay |
For cellular assays, human neutrophils or macrophages (e.g., THP‑1‑derived macrophages) are isolated and seeded in 96‑well plates. Cells are pre‑treated with 5‑LOX‑IN‑6 at graded concentrations (0.1‑1000 microM) for 15‑30 min, then stimulated with a calcium ionophore (e.g., A23187) or LPS. The production of leukotriene B4 (LTB4) or cysteinyl leukotrienes (CysLTs) in the culture supernatant is measured by ELISA. The IC₅0 for inhibition of leukotriene production is calculated. Cell viability is assessed by MTT or LDH assays.
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| Animal Protocol |
Animal/Disease Models:Male Wistar Han rats (220-230 g, n=10 per group)[1]
Doses: 4 mg/kg Route of Administration: IP, 30 min before λ-carrageenan administration. Rats were anaesthetized and λ-carrageenan (HY-N9470) was injected into the pleural cavity. Experimental Results: significantly reduced the inflammatory reaction measured as exudate volume (77%), inflammatory cell numbers (40%), and LTB4 levels (49%) in the pleural exudates. No animal experiments for 5‑LOX‑IN‑6 are described in the search results. For in vivo evaluation of anti‑neuroinflammatory activity, 6‑8‑week‑old male C57BL/6 mice would be used in a model of LPS‑induced neuroinflammation. LPS (5 mg/kg) is administered intraperitoneally (IP). 5‑LOX‑IN‑6 would be administered orally or IP at doses of 10‑100 mg/kg daily for 3‑7 days. Brain tissues (cortex, hippocampus) would be harvested for measurement of leukotrienes (by ELISA), pro‑inflammatory cytokines (by ELISA), and microglial activation (Iba‑1 immunostaining). No specific data are provided. |
| ADME/Pharmacokinetics |
5‑LOX‑IN‑6 (C14H11NO3, MW = 241.24, purity ≥98%, CAS 1159576‑98‑3) is a solid powder. For storage, the powder should be kept at -20degC for up to 3 years, sealed and protected from light. For in vitro use, stock solutions in DMSO (10‑50 mM) can be prepared and stored at -80degC for up to 6 months or at -20degC for 1 month. The compound is soluble in DMSO. For in vivo use, it can be formulated in 10% DMSO / 40% PEG300 / 5% Tween‑80 / 45% saline. No detailed PK parameters are reported.
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| Toxicity/Toxicokinetics |
No specific toxicity data for 5‑LOX‑IN‑6 are reported. As a research‑grade 5‑LOX inhibitor, it is not intended for human or veterinary use. Standard laboratory safety precautions for handling chemicals should be followed. 5‑LOX inhibitors may have gastrointestinal side effects (e.g., ulceration) at high doses due to inhibition of gastroprotective leukotrienes. No LD₅0 or formal toxicology studies are available.
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| References | |
| Additional Infomation |
5‑LOX‑IN‑6 is a research‑grade inhibitor of 5‑lipoxygenase (5‑LOX). The leukotriene pathway is a key mediator of inflammation in asthma, allergic rhinitis, and inflammatory bowel disease (IBD). In the central nervous system, 5‑LOX is upregulated in Alzheimer‘s disease, Parkinson‘s disease, and other neurodegenerative diseases, and its inhibition has been shown to reduce amyloid‑beta accumulation, tau phosphorylation, and neuroinflammation in animal models. 5‑LOX‑IN‑6 is a chemical tool for studying the role of 5‑LOX in neuroinflammation and other inflammatory diseases. The compound is for research use only and has not received regulatory approval.
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| Molecular Formula |
C22H18CLNO3
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| Molecular Weight |
379.84
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| Exact Mass |
379.097
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| CAS # |
1159576-98-3
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| PubChem CID |
44157725
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
624.2±55.0 °C at 760 mmHg
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| Flash Point |
331.3±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.705
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| LogP |
6.15
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
530
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCOC(=O)C1=C(CC2=CC(=CC=C2)Cl)NC3=C1C=C(C4=CC=CC=C43)O
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| InChi Key |
UNDGVXYIMIZWAS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3
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| Chemical Name |
ethyl 2-[(3-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate
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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 | 2.6327 mL | 13.1634 mL | 26.3269 mL | |
| 5 mM | 0.5265 mL | 2.6327 mL | 5.2654 mL | |
| 10 mM | 0.2633 mL | 1.3163 mL | 2.6327 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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