| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
The compound is known to interact with trace amine-associated receptors (TAARs) and cytochrome P450 enzymes. It is also studied for its potential effects on neurotransmitter systems, particularly as a structural analog of dopamine and other catecholamines.
|
|---|---|
| ln Vitro |
In vitro activity data is limited; the compound is primarily used as a chemical intermediate and research building block rather than as a pharmacologically active agent. Its biological activity is mainly attributed to its interactions with trace amine receptors and metabolic enzymes.
|
| ln Vivo |
No significant in vivo activity has been reported for 3-Methoxyphenylethylamine as a therapeutic agent. It is utilized as a precursor in pharmaceutical synthesis and as a tool compound in neuroscience research.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3-Methoxyphenylethylamine typically involve radioligand binding studies using membrane preparations from cells expressing trace amine-associated receptors or cytochrome P450 isoforms. The compound is incubated with receptor membranes at varying concentrations to determine binding affinity and displacement curves.
|
| Cell Assay |
For in vitro cellular experiments, 3-Methoxyphenylethylamine is typically dissolved in DMSO and diluted in cell culture medium. Cells are treated with the compound at concentrations ranging from 1-100 μM, and downstream signaling pathways or metabolic activities are assessed using standard biochemical assays such as cAMP measurement or enzyme activity assays.
|
| Animal Protocol |
In vivo animal studies with 3-Methoxyphenylethylamine are not commonly performed, as the compound is primarily used as a synthetic intermediate rather than as a pharmacologically active drug candidate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 3-Methoxyphenylethylamine has not been extensively characterized. The compound is soluble in DMSO at 100 mg/mL (661.33 mM) and is used primarily in research settings as a chemical building block.
|
| Toxicity/Toxicokinetics |
The compound has a molecular weight of 151.21 g/mol and a molecular formula of C₉H₁₃NO. Toxicological data for 3-Methoxyphenylethylamine is limited. As with all chemical reagents, standard laboratory safety procedures should be followed during handling. The compound is not intended for human therapeutic use.
|
| References | |
| Additional Infomation |
3-Methoxyphenylethylamine serves as an intermediate for pharmaceuticals, dyestuffs, and liquid crystal materials. It is used in the synthesis of pharmaceuticals and bioactive molecules and may serve as a building block for exploring structure-activity relationships in medicinal chemistry, particularly in the context of central nervous system activity. No clinical trials or regulatory approvals have been reported for this compound.
|
| Molecular Formula |
C9H13NO
|
|---|---|
| Molecular Weight |
151.2056
|
| Exact Mass |
151.099
|
| CAS # |
2039-67-0
|
| Related CAS # |
2039-54-5 (hydrochloride)
|
| PubChem CID |
74866
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
262.7±0.0 °C at 760 mmHg
|
| Flash Point |
104.9±13.6 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.526
|
| LogP |
1.37
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
11
|
| Complexity |
106
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])C([H])([H])N([H])[H]
|
| InChi Key |
WJBMRZAHTUFBGE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
|
| Chemical Name |
2-(3-methoxyphenyl)ethanamine
|
| 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 |
| 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 (661.33 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.53 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 (16.53 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 (16.53 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 | 6.6133 mL | 33.0666 mL | 66.1332 mL | |
| 5 mM | 1.3227 mL | 6.6133 mL | 13.2266 mL | |
| 10 mM | 0.6613 mL | 3.3067 mL | 6.6133 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
