| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 1g |
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| Other Sizes |
| Targets |
This compound is classified as a glycine derivative with potential antimicrobial and enzyme inhibition targets. Preliminary studies on structurally similar compounds suggest it may exhibit activity against bacterial strains (E. coli, S. aureus) and inhibit enzymes such as acetylcholinesterase, which is relevant to neurodegenerative disease research.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
In vitro studies on structurally related compounds have demonstrated significant antimicrobial properties against various pathogens, with minimum inhibitory concentrations (MICs) in the range of 256 ug/mL. Investigations into cytotoxic effects reveal selective cytotoxicity towards human cancer cell lines while sparing normal cells. Enzyme inhibition studies indicate potential activity against metabolic pathway enzymes. |
| ln Vivo |
In vivo data specific to this compound remain limited, as it is primarily used as a synthetic intermediate. Related glycine derivatives with similar aromatic substitution patterns have shown anti-inflammatory and analgesic effects in rodent models, with oral administration leading to reduced edema and pain responses in carrageenan-induced paw edema tests.
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| Enzyme Assay |
Cell-free enzyme assays for glycine derivatives typically target acetylcholinesterase or butyrylcholinesterase using Ellman‘s method. Compound (0.1-1000 uM) is incubated with enzyme and substrate (acetylthiocholine iodide) in phosphate buffer (pH 8.0) at 25degC for 15 minutes, followed by absorbance measurement at 412 nm to determine IC50 values.
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| Cell Assay |
Cell-based assays for antimicrobial evaluation employ broth microdilution methods per CLSI guidelines. Bacterial strains (E. coli ATCC 25922, S. aureus ATCC 29213) are grown in Mueller-Hinton broth, treated with compound (0.5-512 ug/mL), and incubated at 37degC for 18-24 hours. Minimum inhibitory concentrations are determined as the lowest concentration preventing visible growth.
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| Animal Protocol |
Animal studies for glycine derivatives typically use male Swiss albino mice or Wistar rats. Compounds are administered orally (25-200 mg/kg) or intraperitoneally. For antimicrobial efficacy, infected animal models receive compound treatment with survival monitoring. For anti-inflammatory assessment, carrageenan-induced paw edema is measured plethysmometrically over 1-5 hours post-administration.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of glycine ester derivatives generally include good oral absorption due to ester prodrug strategy, peak plasma concentration at 1-2 hours post-dose, plasma half-life 2-4 hours, volume of distribution 0.5-1.2 L/kg, plasma protein binding 60-85%, and elimination via hepatic esterase hydrolysis followed by renal excretion of carboxylic acid metabolites.
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| Toxicity/Toxicokinetics |
Toxicological evaluation of chlorophenoxy derivatives suggests potential for mild to moderate acute toxicity. Oral LD50 typically ranges from 500-2000 mg/kg. Skin and eye irritation may occur upon exposure. Repeated-dose studies at high doses may show hepatotoxicity or nephrotoxicity. The chlorophenoxy moiety requires careful toxicological assessment for pharmaceutical development.
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| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
This compound has molecular formula C19H20ClNO4 and molecular weight 361.82. It appears as a solid and is soluble in organic solvents such as DMSO. The compound serves as a research intermediate with potential applications in antimicrobial, anticancer, and enzyme inhibition studies. For laboratory use only, not for human consumption.
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| Molecular Formula |
C19H20CLNO4
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|---|---|
| Molecular Weight |
361.82
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| Exact Mass |
361.108
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| CAS # |
1035404-17-1
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| PubChem CID |
68001731
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| Appearance |
Colorless to light yellow oil
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| LogP |
3.696
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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 |
8
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| Heavy Atom Count |
25
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| Complexity |
437
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCOC(=O)CN(C)C(=O)CC1=CC=CC=C1OC2=CC=C(C=C2)Cl
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| InChi Key |
RMVRWHKAUBKLIN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H20ClNO4/c1-3-24-19(23)13-21(2)18(22)12-14-6-4-5-7-17(14)25-16-10-8-15(20)9-11-16/h4-11H,3,12-13H2,1-2H3
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| Chemical Name |
ethyl 2-[[2-[2-(4-chlorophenoxy)phenyl]acetyl]-methylamino]acetate
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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 (276.38 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 | 2.7638 mL | 13.8190 mL | 27.6381 mL | |
| 5 mM | 0.5528 mL | 2.7638 mL | 5.5276 mL | |
| 10 mM | 0.2764 mL | 1.3819 mL | 2.7638 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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