| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Methyl 2-(2-(5-chloro-2-phenoxyphenyl)-N-methylacetamido)acetate does not have a defined biological target. It is a glycine derivative used as a synthetic building block. The phenoxyphenyl motif is found in drugs such as phenoxybenzamine (alpha-adrenergic antagonist) and various antimicrobial agents. When elaborated into larger molecules, the final compound may target GPCRs, ion channels, or enzymes. The parent building block is not bioactive. It is classified as a Glycine derivative.
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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].
No in vitro biological activity data are available for this compound. It is not tested in cell viability, enzyme inhibition, or receptor binding assays as a primary test article. Any activity would arise after further chemical modification (e.g., hydrolysis of the methyl ester and coupling to other pharmacophores). No IC50 or EC50 values are reported. |
| ln Vivo |
No in vivo activity data are available. The compound has not been administered to animals for efficacy or safety assessment. It is exclusively a research chemical intermediate.
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| Enzyme Assay |
The compound is not used in direct enzyme/receptor binding assays. For chemical analysis, standard HPLC using a C18 column with UV detection at 254 nm is used. Mobile phase: acetonitrile/water (0.1% TFA) gradient. NMR in CDCl3 or DMSO-d₆ confirms structure. Solubility: DMSO (90 mg/mL). No biological binding assays are performed.
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| Cell Assay |
No cell-based protocols are established for this intermediate. For downstream drug candidates, typical cell-based assays might include: seeding cancer cells or target cells in 96-well plates (5,000-10,000 cells/well), treating with synthesized compounds (0.1-100 uM) for 48-72 hours, and measuring viability by MTT or CellTiter-Glo. This intermediate is not added to cells.
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| Animal Protocol |
No animal studies have been performed with this compound. For final molecules derived from it, in vivo efficacy studies might involve xenograft models or inflammation models (e.g., carrageenan-induced paw edema in rats). Typical dosing: 10-50 mg/kg oral or intraperitoneal daily. No data exist for the building block.
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| ADME/Pharmacokinetics |
No PK data are available for this compound. As a glycine derivative with MW 347.79, logP predicted ~3-4. If administered, the methyl ester would likely be hydrolyzed by esterases to the free acid. The free acid may be subject to glucuronidation or CYP-mediated oxidation (especially on the phenoxy ring). No ADME studies (oral bioavailability, half-life, clearance) have been reported. Solubility: DMSO 90 mg/mL, poor water solubility.
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| Toxicity/Toxicokinetics |
Safety profile: May cause skin and eye irritation. Harmful if swallowed (estimated LD50 >2000 mg/kg). The compound contains a chloro-substituted phenoxyphenyl group; chlorinated aromatics can be irritants. Not classified as carcinogen or mutagen based on structural alerts. Use standard PPE (gloves, goggles, lab coat, fume hood). Avoid inhalation of dust. Stable as a solid at room temperature or -20degC.
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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 is not an approved drug and has no clinical trial history. It is a research chemical intermediate for pharmaceutical synthesis. The methyl 2-(2-(5-chloro-2-phenoxyphenyl)-N-methylacetamido)acetate structure is a glycine derivative and may be used as a building block for developing novel analgesic, anti-inflammatory, or CNS-active agents. The presence of the N-methylacetamido group suggests potential as a peptidomimetic or protease inhibitor scaffold. No specific drug or clinical candidate derived from this intermediate has been identified. It is commercially available from chemical vendors for research use only.
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| Molecular Formula |
C18H18CLNO4
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|---|---|
| Molecular Weight |
347.79
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| Exact Mass |
347.092
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| CAS # |
1180843-76-8
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| PubChem CID |
57826923
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| Appearance |
White to off-white solid powder
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| LogP |
3.306
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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 |
7
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| Heavy Atom Count |
24
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| Complexity |
425
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])C(=C(C=1[H])C([H])([H])C(N(C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[H])=O)OC1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
MHVBXDQYQMEQOP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H18ClNO4/c1-20(12-18(22)23-2)17(21)11-13-10-14(19)8-9-16(13)24-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3
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| Chemical Name |
methyl 2-[[2-(5-chloro-2-phenoxyphenyl)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 (287.53 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.19 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.19 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.19 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8753 mL | 14.3765 mL | 28.7530 mL | |
| 5 mM | 0.5751 mL | 2.8753 mL | 5.7506 mL | |
| 10 mM | 0.2875 mL | 1.4376 mL | 2.8753 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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