| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| Other Sizes |
| Targets |
The primary targets of 5-Benzyloxygramine are not well-defined, as it is primarily a synthetic intermediate rather than a bioactive compound. However, its derivatives have been studied for their interactions with serotonin receptors, monoamine oxidases, and other targets. The compound itself may serve as a precursor for the synthesis of compounds with central nervous system activity, including potential antidepressant and anxiolytic agents.
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|---|---|
| ln Vitro |
5-benzyloxygramine causes aberrant N protein oligomerization, which has been further validated in the cell, by stabilizing the N-NTD dimers through concurrent hydrophobic contacts with both partners[1].
In vitro, 5-Benzyloxygramine is used primarily as a chemical reagent rather than a pharmacologically active compound. Its biological activity is not directly characterized, but it serves as a key intermediate in the synthesis of various bioactive indole derivatives. For example, it can be converted to 5-benzyloxytryptamine or other tryptamine analogs, which are known to interact with serotonin receptors and other targets. |
| ln Vivo |
In vivo activity of 5-Benzyloxygramine is not relevant, as it is a synthetic intermediate and not intended for therapeutic use. Any in vivo effects would be associated with its downstream derivatives rather than the compound itself. The compound is used in research settings for the preparation of more complex molecules for pharmacological studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not directly applicable to 5-Benzyloxygramine, as it is a building block. Quality control assays involve HPLC, NMR, and mass spectrometry to confirm purity and structure. The compound is typically tested for solubility, stability, and reactivity in various organic solvents. It is stable under normal storage conditions and should be kept in a cool, dry place.
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| Cell Assay |
In vitro cellular assays are not performed with 5-Benzyloxygramine itself, as it is not a bioactive compound. However, its synthetic derivatives may be tested in cellular models for receptor binding, enzyme inhibition, or cell viability. The compound's utility is assessed by its efficiency in subsequent chemical reactions rather than biological assays.
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| Animal Protocol |
In vivo animal studies are not applicable to 5-Benzyloxygramine, as it is a synthetic intermediate. No pharmacokinetic or toxicological studies have been conducted with this compound directly. Its derivatives may be studied in animal models, but the parent compound is not intended for administration.
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| ADME/Pharmacokinetics |
5-Benzyloxygramine has a molecular formula of C17H18N2O and a molecular weight of 266.34. It appears as a solid powder with a purity of typically ≥97%. It is soluble in organic solvents such as DMSO, ethanol, and dichloromethane. The compound is stable under recommended storage conditions (room temperature, protected from light and moisture). It is intended for research use only and is not for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of 5-Benzyloxygramine has not been characterized, as it is a synthetic intermediate. Standard laboratory safety precautions should be followed when handling. It may cause skin and eye irritation. The compound is not intended for clinical use and should be used only by trained personnel in a laboratory setting.
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| References |
[1]. Shan-Meng Lin, et al. Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design. J Med Chem. 2020 Mar 26;63(6):3131-3141.
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| Additional Infomation |
5-Benzyloxygramine (CAS 1453-97-0) is a synthetic indole derivative used as an intermediate in organic synthesis and medicinal chemistry. It has a molecular formula of C17H18N2O and a molecular weight of 266.34. The compound is a gramine analog with a benzyloxy substituent at the 5-position. It serves as a building block for the preparation of biologically active molecules, such as serotonin receptor ligands and enzyme inhibitors. It is intended for research use only and is not approved for clinical use.
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| Molecular Formula |
C18H20N2O
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|---|---|
| Molecular Weight |
280.36
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| Exact Mass |
280.158
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| CAS # |
1453-97-0
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| PubChem CID |
73814
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.153g/cm3
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| Boiling Point |
442.3ºC at 760mmHg
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| Melting Point |
137-139 °C(lit.)
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| Flash Point |
221.3ºC
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| Vapour Pressure |
5.06E-08mmHg at 25°C
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| LogP |
3.808
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
314
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(OC1=CC=C2C(C(CN(C)C)=CN2)=C1)C1C=CC=CC=1
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| InChi Key |
POTVAILTNPOQJH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
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| Chemical Name |
N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
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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 : 250 mg/mL (891.71 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.42 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 20.8 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: ≥ 2.08 mg/mL (7.42 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 20.8 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: ≥ 2.08 mg/mL (7.42 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 | 3.5668 mL | 17.8342 mL | 35.6684 mL | |
| 5 mM | 0.7134 mL | 3.5668 mL | 7.1337 mL | |
| 10 mM | 0.3567 mL | 1.7834 mL | 3.5668 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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