| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
4-Methoxyindole does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is a reactant for alpha-ethyltryptamines, which act as dual dopamine-serotonin releasers. The indole scaffold is a common motif in various biologically active compounds with diverse pharmacological activities. The methoxy group provides a handle for further derivatization.
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|---|---|
| ln Vitro |
In vitro, 4-methoxyindole is primarily used as a chemical reagent and synthetic intermediate. It is a reactant for alpha-ethyltryptamines as dual dopamine-serotonin releasers. As a methoxy-substituted indole, it is a building block for the construction of various biologically active compounds, including tryptamines and other indole derivatives. The compound is used in medicinal chemistry and drug discovery.
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| ln Vivo |
In vivo activity data for 4-methoxyindole itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of alpha-ethyltryptamines and other drug candidates that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final compounds derived from its indole scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, 4-methoxyindole is used as a building block for the preparation of various compounds. The indole nitrogen can be alkylated or acylated. The 4-methoxy group can undergo demethylation to reveal the phenol. The indole ring can undergo electrophilic substitution reactions at the 3-position. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions, such as using bases for N-alkylation or electrophiles for C-3 functionalization.
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| Cell Assay |
For in vitro cell-based experiments, 4-methoxyindole is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 4-methoxyindole are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For alpha-ethyltryptamines and other psychoactive compounds derived from this building block, efficacy studies would typically be performed in mouse models of neurological or psychiatric disorders. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-methoxyindole as a standalone compound are not characterized in the literature. The compound has a molecular weight of 147.17 g/mol, which is very favorable for oral bioavailability. The methoxy group may be subject to O-demethylation. The indole scaffold is expected to have reasonable membrane permeability. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
4-Methoxyindole is a research chemical and should be handled with appropriate laboratory safety precautions. As an indole derivative, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
4-Methoxyindole (CAS 4837-90-5) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary application is as a reactant for alpha-ethyltryptamines as dual dopamine-serotonin releasers. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C9H9NO
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|---|---|
| Molecular Weight |
147.17
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| Exact Mass |
147.068
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| CAS # |
4837-90-5
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| PubChem CID |
138363
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| Appearance |
Yellow to brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
306.9±0.0 °C at 760 mmHg
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| Melting Point |
69-70 °C(lit.)
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| Flash Point |
109.2±10.1 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.637
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| LogP |
2.06
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
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| Complexity |
138
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1=C([H])C([H])=C([H])C2=C1C([H])=C([H])N2[H]
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| InChi Key |
LUNOXNMCFPFPMO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
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| Chemical Name |
4-methoxy-1H-indole
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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 (~679.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (33.97 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (33.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.7949 mL | 33.9743 mL | 67.9486 mL | |
| 5 mM | 1.3590 mL | 6.7949 mL | 13.5897 mL | |
| 10 mM | 0.6795 mL | 3.3974 mL | 6.7949 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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