| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Human COX-2 60 nM (IC50) Ovine COX-1 >66 μM (IC50)
Cyclooxygenase-2 (COX-2). LM-4108 is a selective COX-2 inhibitor with an IC50 of 0.06 uM for purified human COX-2. It exhibits significantly reduced activity against COX-1, contributing to an improved gastrointestinal safety profile compared to non-selective NSAIDs like indomethacin. |
|---|---|
| ln Vitro |
In vitro, LM-4108 is a selective COX-2 inhibitor with an IC50 of 0.06 uM for purified human COX-2, demonstrating high potency against the COX-2 isoform. It also shows anti-inflammatory activity in cell-based assays, reducing prostaglandin E2 (PGE2) production in LPS-stimulated macrophages. Its selectivity for COX-2 over COX-1 predicts a reduced risk of gastrointestinal toxicity.
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| ln Vivo |
No detailed in vivo pharmacological studies for LM-4108 are publicly available beyond its oral bioavailability and metabolism. Based on its selectivity profile, it would be expected to exhibit anti-inflammatory and analgesic effects comparable to other selective COX-2 inhibitors, with potential cancer-preventive properties as suggested by the literature.
|
| Enzyme Assay |
A COX inhibition assay is performed using purified human COX-1 and COX-2 enzymes. The enzymes are pre-incubated with serially diluted LM-4108 (0.001-100 uM) for 10 minutes at room temperature. Arachidonic acid (100 uM) is then added, and the reaction proceeds for 2 minutes at 37degC. The reaction is stopped with 1 M HCl, and PGE2 production is quantified by ELISA. The IC50 for each isoform is calculated.
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| Cell Assay |
For in vitro cellular assays, murine macrophages (RAW 264.7) or human whole blood are stimulated with lipopolysaccharide (LPS, 1 ug/mL) to induce COX-2 expression. Cells are treated with serially diluted LM-4108 (0.001-100 uM) for 24 hours. Supernatant PGE2 levels are measured by ELISA. Cell viability is assessed using MTT or CellTiter-Glo assay to rule out cytotoxicity. For COX-1 activity, serum TXB2 levels are measured after blood clotting.
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| Animal Protocol |
No published in vivo animal studies are available for LM-4108. For general research use, the carrageenan-induced rat paw edema model can be used to assess anti-inflammatory efficacy. Male Sprague-Dawley rats (n=6 per group) receive a subplantar injection of 1% carrageenan into the right hind paw. LM-4108 is administered orally at doses of 1-30 mg/kg, 1 hour before carrageenan injection. Paw volume is measured using a plethysmometer at 0, 1, 2, 3, 4, and 6 hours post-injection. Edema inhibition (%) is calculated.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Known human metabolites of N-(2-phenylethyl)indomethacinamide include 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-yl]-N-(1-hydroxy-2-phenylethyl)acetamide, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-yl]-N-(2-hydroxy-2-phenylethyl)acetamide, and 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindole-3-yl]-N-(2-phenylethyl)acetamide. LM-4108 has a molecular weight of 448.51 g/mol and a formula of C27H24N2O4. It is orally active and stable in liver microsomes, with half-lives for the disappearance of 10 uM LM-4108 in rat, human, and mouse liver microsomes of 11 min, 21 min, and 51 min, respectively, indicating species-dependent metabolic stability. Detailed in vivo PK parameters are not fully published. |
| Toxicity/Toxicokinetics |
Detailed toxicological data for LM-4108 are not publicly available. As a selective COX-2 inhibitor, its safety profile is expected to be similar to that of other coxibs, with a lower risk of gastrointestinal ulceration and bleeding compared to non-selective NSAIDs, but potential for cardiovascular and renal adverse effects at high doses. No severe toxicities have been reported in the literature.
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| References |
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| Additional Infomation |
N-(2-Phenylacetyl)-Indomethacinamide is an N-acylindole.
LM-4108 is a research-grade compound not approved for clinical use. It is a selective COX-2 inhibitor derived from indomethacin, used to study the role of COX-2 in inflammation, pain, and cancer prevention. Its improved selectivity profile makes it a useful tool for dissecting COX-1 vs. COX-2 specific pathways. This product is for laboratory research purposes only, not for human therapeutic use. |
| Molecular Formula |
C27H25CLN2O3
|
|---|---|
| Molecular Weight |
460.95
|
| Exact Mass |
460.155
|
| CAS # |
261766-32-9
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| PubChem CID |
4292
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
640.5±55.0 °C at 760 mmHg
|
| Flash Point |
341.2±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
|
| Index of Refraction |
1.613
|
| LogP |
4.31
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
33
|
| Complexity |
660
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=C(C2=C(N1C(C3=CC=C(Cl)C=C3)=O)C=CC(OC)=C2)CC(NCCC4=CC=CC=C4)=O
|
| InChi Key |
VYDBTNADENXYSN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C27H25ClN2O3/c1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,29,31)
|
| Chemical Name |
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide
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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)
|
| 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 | 2.1694 mL | 10.8472 mL | 21.6943 mL | |
| 5 mM | 0.4339 mL | 2.1694 mL | 4.3389 mL | |
| 10 mM | 0.2169 mL | 1.0847 mL | 2.1694 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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