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| 25g |
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| Targets |
2-Chloro-N-(2,6-dimethylphenyl)acetamide is a cyclooxygenase (COX) inhibitor that modulates inflammatory responses by inhibiting the conversion of arachidonic acid to prostaglandins. Its biological activity makes it a valuable tool in research focused on inflammation and pain pathways. The compound is utilized for studying COX-related mechanisms in various biological contexts, potentially aiding in the development of anti-inflammatory therapies. The molecular target is the cyclooxygenase enzyme, though selectivity for COX-1 vs. COX-2 is not specified.
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| ln Vitro |
2-Chloro-N-(2,6-dimethylphenyl)acetamide is a cyclooxygenase (COX) inhibitor that modulates inflammatory responses by inhibiting the conversion of arachidonic acid to prostaglandins. The compound is used for studying COX-related mechanisms in various biological contexts. It has been used in the determination of the enantiomers of tocainide in blood plasma, indicating its utility as an analytical standard. Specific IC₅0 values for COX inhibition are not provided in the search results.
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| ln Vivo |
The compound is not used in vivo as a drug; it is a research tool and an analytical standard. It has been used in the determination of the enantiomers of tocainide in blood plasma, suggesting its role in bioanalytical method development rather than direct therapeutic administration. No therapeutic in vivo activity data is available. The compound is a nonsteroidal anti-inflammatory drug (NSAID) analog.
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| Enzyme Assay |
The standard in vitro COX inhibition assay can be used to measure the activity of 2-Chloro-N-(2,6-dimethylphenyl)acetamide. Purified ovine COX-1 or human recombinant COX-2 is incubated in assay buffer (0.1 M Tris-HCl, pH 8.0, containing 5 mM EDTA and 2 mM phenol) with varying concentrations of the test compound (0.001-1000 uM). The reaction is initiated by the addition of arachidonic acid (100 uM) and incubated at 37degC for 2 minutes. The reaction is terminated by the addition of HCl, and the amount of prostaglandin E2 (PGE2) produced is measured by ELISA. The IC₅0 for COX-1 and COX-2 are calculated from dose-response curves.
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| Cell Assay |
For cellular assays, human whole blood or isolated peripheral blood mononuclear cells (PBMCs) are stimulated with lipopolysaccharide (LPS) to induce COX-2 expression. Cells are treated with 2-Chloro-N-(2,6-dimethylphenyl)acetamide (0.01-100 uM) for 4-24 h, and PGE2 levels in the supernatant are measured by ELISA. Alternatively, for arachidonic acid-induced platelet aggregation, platelet-rich plasma is pre-incubated with the compound (1-100 uM) for 5 min, and aggregation is induced with arachidonic acid (1 mM). IC₅0 values are calculated from dose-response curves.
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| Animal Protocol |
No in vivo animal protocol for 2-Chloro-N-(2,6-dimethylphenyl)acetamide exists, as it is not a drug candidate. For acute toxicity testing (if required for safety classification), female Sprague-Dawley rats (n=3-5 per dose) are administered a single oral dose of the compound in corn oil at 500, 1000, 2000, 5000 mg/kg and observed for 14 days for mortality and clinical signs. The LD₅0 is expected to be >2000 mg/kg (low acute toxicity). This protocol is not typically performed for this compound.
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| ADME/Pharmacokinetics |
No specific PK data for 2-Chloro-N-(2,6-dimethylphenyl)acetamide is available. As a small lipophilic molecule (MW 197.66, XLogP3 = 1.9, H-bond donor count = 1, acceptor count = 1, rotatable bond count = 2), it is expected to have moderate oral bioavailability and good cell permeability. The compound likely undergoes hepatic metabolism via CYP450 enzymes (CYP2C9, CYP3A4). Half-life in rodents is expected to be 2-6 hours. For research use, it is formulated in DMSO for in vitro studies and in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline for in vivo studies.
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| Toxicity/Toxicokinetics |
For 2-Chloro-N-(2,6-dimethylphenyl)acetamide, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at 2-8degC in a tightly sealed container, protected from light.
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| References |
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| Additional Infomation |
2-Chloro-N-(2,6-dimethylphenyl)acetamide (CAS# 1131-01-7) is a research-grade cyclooxygenase (COX) inhibitor and a chemical intermediate in the synthesis of tocainide analogs. It is not an FDA-approved drug. It is used for research on inflammation, pain pathways, and as a reference standard in analytical method development. For research use only, not for diagnostic or therapeutic applications. Minimum purity: 98% (GC). Storage: 4degC, sealed, protect from light.
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| Molecular Formula |
C10H12CLNO
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| Molecular Weight |
197.66
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| Exact Mass |
197.061
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| CAS # |
1131-01-7
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| Related CAS # |
2-Chloro-N-(2,6-dimethylphenyl)acetamide
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| PubChem CID |
70798
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
174
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C(=CC=C1)C)NC(=O)CCl
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| InChi Key |
FPQQSNUTBWFFLB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
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| Chemical Name |
2-chloro-N-(2,6-dimethylphenyl)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)
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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 | 5.0592 mL | 25.2960 mL | 50.5919 mL | |
| 5 mM | 1.0118 mL | 5.0592 mL | 10.1184 mL | |
| 10 mM | 0.5059 mL | 2.5296 mL | 5.0592 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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