| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
IC50: Neuromodulator[1]
N-Methylphenethylamine does not have a well-defined pharmacological target in the context of drug development. It is primarily used as a fragment molecule or a building block in medicinal chemistry. As a secondary amine, it can interact with various receptors and enzymes, but its primary utility is as a synthetic intermediate rather than as a therapeutic agent. It serves as an important scaffold for molecular splicing, expansion, and modification in the design and screening of novel drug candidates. |
|---|---|
| ln Vitro |
In vitro activity of N-Methylphenethylamine is not typically evaluated as a pharmacological agent. Its utility lies in its chemical reactivity as a synthetic intermediate. It can be used as a reactant to synthesize N-methylphenethylamine-based tertiary amines by reacting with different alkyl halides in the presence of triphenylphosphine (TPP) and diisopropylazocarboxylate (DIAD) via N-alkylation reactions. Its "activity" is reflected in its versatility as a chemical building block.
|
| ln Vivo |
In vivo activity of N-Methylphenethylamine is not documented as the compound is not a therapeutic agent. As a structural analog of phenethylamine, it might theoretically have stimulant properties, but its primary use is in research and synthesis. It is not administered in animal models for pharmacological evaluation. Its significance lies in its role as a synthetic intermediate and fragment molecule in drug discovery.
|
| Enzyme Assay |
In vitro enzyme/receptor binding experiments with N-Methylphenethylamine are not typically performed as the compound is a synthetic intermediate rather than a drug candidate. However, it could be used in assays to study the activity of enzymes that metabolize amines, such as monoamine oxidases (MAO). Standard assays would involve incubating the compound with enzyme preparations and monitoring the formation of products by HPLC or spectrophotometry. These experiments would provide insights into the metabolism of phenethylamine analogs.
|
| Cell Assay |
N-Methylphenethylamine is not typically used in cell culture experiments as a bioactive compound. However, it may be employed in studies investigating the effects of phenethylamine derivatives on cellular function, particularly in neuronal or cancer cell lines. Cells could be treated with the compound to assess its potential effects on cell viability, proliferation, or signaling pathways. Its primary use, however, is as a chemical building block for the synthesis of more complex molecules for biological testing.
|
| Animal Protocol |
In vivo animal experiments with N-Methylphenethylamine are not commonly performed as the compound is not a therapeutic candidate. If used, it would likely be to study the metabolism and disposition of phenethylamine analogs or to evaluate the pharmacological effects of derivatives synthesized from it. Its primary significance is in medicinal chemistry as a synthetic intermediate for the design and screening of novel drug candidates.
|
| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of N-Methylphenethylamine are not characterized as the compound is a research chemical and synthetic intermediate rather than a drug. As a small lipophilic amine, it is expected to be absorbed from the gastrointestinal tract and distributed throughout the body, with metabolism by monoamine oxidases and other amine-metabolizing enzymes. However, specific PK data are not available. Its utility is in synthesis, not in pharmacokinetic studies.
|
| Toxicity/Toxicokinetics |
Toxicological information for N-Methylphenethylamine is not well documented. As a phenethylamine analog, it may have stimulant properties at high doses, but the compound is primarily used as a research chemical and synthetic intermediate rather than as a drug. Standard laboratory safety practices should be followed when handling. It is not classified as a hazardous substance for research use. Comprehensive toxicology studies have not been published for this compound.
|
| References | |
| Additional Infomation |
N-methylphenethylamine has reportedly been found in Senegalia berlandieri, Senegalia roemeriana, and other organisms with available data.
N-Methylphenethylamine is a fragment molecule and synthetic intermediate used in drug discovery and medicinal chemistry research. It serves as an important scaffold for molecular splicing, expansion, and modification, providing a structural basis for the design and screening of novel drug candidates. It is commonly used in drug discovery, drug synthesis, and related research applications. The compound is not a drug and has no clinical trials or therapeutic indications. It is available for laboratory research use only. |
| Molecular Formula |
C9H13N
|
|---|---|
| Molecular Weight |
135.21
|
| Exact Mass |
135.104
|
| CAS # |
589-08-2
|
| Related CAS # |
4104-43-2 (hydrochloride)
|
| PubChem CID |
11503
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
201.7±9.0 °C at 760 mmHg
|
| Melting Point |
0.93ºC
|
| Flash Point |
73.9±0.0 °C
|
| Vapour Pressure |
0.3±0.4 mmHg at 25°C
|
| Index of Refraction |
1.509
|
| LogP |
1.6
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
10
|
| Complexity |
74.8
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
|
| InChi Key |
SASNBVQSOZSTPD-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
|
| Chemical Name |
N-methyl-2-phenylethanamine
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO: 100 mg/mL (739.59 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.49 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 (18.49 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 (18.49 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 | 7.3959 mL | 36.9795 mL | 73.9590 mL | |
| 5 mM | 1.4792 mL | 7.3959 mL | 14.7918 mL | |
| 10 mM | 0.7396 mL | 3.6980 mL | 7.3959 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
