| Size | Price | Stock | Qty |
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| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
LM-1685 selectively targets the cyclooxygenase-2 (COX-2) enzyme. It functions as a potent and selective inhibitor, with significantly higher affinity for COX-2 than for COX-1. The compound's mechanism involves inhibiting the COX-2-mediated production of prostaglandins from arachidonic acid, a key step in the inflammatory pathway. This selective inhibition is central to its application in studying inflammatory diseases and its potential as a therapeutic agent.
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| ln Vitro |
LM-1685 demonstrates potent in vitro activity as a COX-2 inhibitor. In human monocytes, it exhibits an IC50 of 650 nM (0.65 µM), and in human whole blood, it shows an IC50 of 4.3 µM. It displays only very weak activity against COX-1 from human platelets (IC50 >10 µM) and in whole blood (IC50 >100 µM). Furthermore, continuous exposure to LM-1685, in combination with carboxyamido-triazole (CAI), has been shown to reduce the proliferation and survival of seven human cancer cell lines by at least one log (P ≤ 0.001). This supra-additive effect is paralleled by a decrease in COX-2 activity, as measured by prostaglandin E2 production.
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| ln Vivo |
In vivo activity data for LM-1685 are less extensively detailed in the provided literature, but its potential as an anti-inflammatory and anticancer agent has been investigated. Studies have explored its role as a radiosensitizer, for example, in human lung adenocarcinoma A549 cells. The compound's potent and selective inhibition of COX-2 suggests it could modulate inflammatory responses and tumor growth in animal models. However, specific in vivo efficacy data, such as tumor growth inhibition in xenograft models, are not extensively detailed in the available sources.
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| Enzyme Assay |
Non-cell-based enzyme assays for LM-1685 typically involve in vitro kinase or enzyme activity assays using purified COX-2 enzyme. The compound is incubated with the enzyme and its substrate (arachidonic acid) at varying concentrations. COX-2 activity is measured by quantifying the production of prostaglandins using techniques such as ELISA or mass spectrometry. The IC50, the concentration required to inhibit 50% of the enzyme's activity, is determined from dose-response curves. Selectivity over COX-1 is confirmed by parallel assays using the COX-1 enzyme.
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| Cell Assay |
Cellular assays for LM-1685 are performed using human monocytes and whole blood to assess its inhibitory effect on COX-2. Cells are treated with the compound at various concentrations, and the production of prostaglandin E2 (PGE2), a downstream product of COX-2 activity, is measured. The compound's anti-proliferative effects are evaluated in cancer cell lines, where cells are exposed to LM-1685, and cell viability and proliferation are assessed using standard assays such as MTT or CellTiter-Glo.
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| Animal Protocol |
In vivo animal models for LM-1685 would be employed to study its efficacy in treating inflammation and cancer. Standard models could include carrageenan-induced paw edema in rats for anti-inflammatory activity or xenograft models in immunodeficient mice for antitumor efficacy. For instance, its radiosensitizing effects have been studied in A549 lung adenocarcinoma cells. The compound would be administered via oral gavage or intraperitoneal injection. Efficacy endpoints would include measuring inflammatory markers, tumor volume, and survival. Detailed protocols are not extensively reported in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of LM-1685 include a molecular weight of 377.84 g/mol and a molecular formula of C18H16ClNO4S. The CAS number is 416901-58-1. The compound is soluble in DMSO (100 mg/mL) and methanol (1 mg/mL). It is a cell-permeable small molecule. Purity is typically ≥97% (HPLC). The solid form is white. Detailed PK parameters such as half-life, bioavailability, and volume of distribution are not extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
The compound is noted to have standard handling toxicity (Toxicity: Standard Handling (A)). As a research chemical, its full safety profile would need to be established through comprehensive preclinical toxicity assessments. It is supplied for research use only and is not for human consumption. Given its mechanism of COX-2 inhibition, potential side effects, similar to other COX-2 inhibitors, could include gastrointestinal and cardiovascular effects, though these would need to be confirmed in specific studies.
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| Additional Infomation |
LM-1685 is an indole carboxylic acid ester with the structure 1H-indole-2-carboxylic acid methyl ester, substituted at position 1 with a 4-chlorobenzyl group and at position 5 with a methanesulfonyl group. It is a selective cyclooxygenase 2 inhibitor. It is an indole carboxylic acid ester, sulfone, monochlorobenzene compound, and methyl ester.
LM-1685 is also known as COX-2 Inhibitor I. Its synonyms include LM1685 and LM 1685. It is a cell-permeable, potent, and selective inhibitor of COX-2. It is primarily used for Cell Signaling applications. The compound is a celecoxib analog and has been studied for its potential in cancer research, showing radiosensitizing effects on lung adenocarcinoma cells and supra-additive growth inhibition in combination with CAI. |
| Molecular Formula |
C18H16CLNO4S
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|---|---|
| Molecular Weight |
377.839
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| Exact Mass |
377.048
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| CAS # |
416901-58-1
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| PubChem CID |
10068193
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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 |
604.3±55.0 °C at 760 mmHg
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| Flash Point |
319.3±31.5 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.620
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| LogP |
2.73
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
582
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UBZBOEWMQPWUKB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H16ClNO4S/c1-24-18(21)17-10-13-9-15(25(2,22)23)7-8-16(13)20(17)11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3
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| Chemical Name |
methyl 1-[(4-chlorophenyl)methyl]-5-methylsulfonylindole-2-carboxylate
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| Synonyms |
LM1685; LM 1685; LM-1685
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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 | 2.6466 mL | 13.2331 mL | 26.4662 mL | |
| 5 mM | 0.5293 mL | 2.6466 mL | 5.2932 mL | |
| 10 mM | 0.2647 mL | 1.3233 mL | 2.6466 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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