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Vanillylamine hydrochloride is a biochemical reagent and synthetic intermediate. The compound's primary biological relevance is as an intermediate in the biosynthesis of capsaicin, a prototype vanilloid receptor (TRPV1) agonist. Capsaicin is used to treat osteoarthritis of the knee and other neuropathic pain by activating TRPV1 receptors, leading to desensitization and pain relief. Vanillylamine itself does not have specific biological receptors as its primary targets, but its derivatives, particularly capsaicin, interact with TRPV1 receptors. The compound's primary applications are as a research reagent and synthetic intermediate.
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| ln Vitro |
In vitro, vanillylamine hydrochloride is used as a biochemical reagent and organic compound for biomedical research. It is an intermediate in the biosynthesis of capsaicin, a prototype vanilloid receptor agonist. Cellular assays may evaluate its effects on vanilloid receptors, its conversion to capsaicin, or its cytotoxicity. The compound's amine and phenol functionalities allow for various chemical transformations, making it valuable for drug discovery and chemical synthesis. The compound is also used as a biochemical reagent for life science research.
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| ln Vivo |
In vivo data for vanillylamine hydrochloride is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. However, capsaicin, which is synthesized from vanillylamine, has well-established in vivo activities as a vanilloid receptor agonist for pain management. The compound's primary value lies in its use as a synthetic intermediate for preparing capsaicin and other bioactive compounds. Specific in vivo data for the parent compound is not available in the public literature.
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| Enzyme Assay |
In vitro enzyme assays for vanillylamine hydrochloride typically evaluate its role as a substrate or intermediate in vanillin aminotransferase or capsaicin synthase reactions. A standard assay protocol involves incubating the compound with appropriate enzymes in buffer systems containing cofactors. The compound is dissolved in water or buffer and diluted to working concentrations. Enzyme activity is measured by quantifying the formation of products (e.g., capsaicin) using HPLC or LC-MS. Kinetic parameters such as Km and Vmax are calculated. The compound's reactivity as an amine and phenol allows for various enzymatic transformations.
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| Cell Assay |
Cellular assays for vanillylamine hydrochloride typically evaluate its effects on vanilloid receptors or its conversion to capsaicin. A standard protocol involves culturing cells expressing TRPV1 receptors in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound or its derivatives. Receptor activation is assessed by measuring calcium influx using fluorescent calcium indicators. Cell viability is assessed using MTT or similar assays. The compound's ability to be converted to capsaicin can be evaluated in cells expressing the appropriate enzymes. IC₅₀ or EC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for vanillylamine hydrochloride are not standard, as it is primarily a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be conducted on capsaicin or other compounds synthesized using this building block. These studies would evaluate efficacy in pain models, pharmacokinetics, and safety. The compound's primary value lies in its use as a synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for vanillylamine hydrochloride is limited, as it is primarily a research reagent. The compound has a molecular weight of 189.64 g/mol and a molecular formula of C₈H₁₂ClNO₂. It is a solid at room temperature with a melting point of 219-221°C (dec.). It is stored below +30°C. As an amine, it may undergo metabolic conjugation and oxidation. The compound is soluble in water and organic solvents. Specific ADME data is not available.
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| Toxicity/Toxicokinetics |
Vanillylamine hydrochloride is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Vanillylamine hydrochloride (4-(Aminomethyl)-2-methoxyphenol hydrochloride, CAS 7149-10-2) is a biochemical reagent with the molecular formula C₈H₁₂ClNO₂. It is an intermediate in the biosynthesis of capsaicin, a vanilloid receptor agonist used for pain management. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and chemical synthesis.
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| Molecular Formula |
C8H12CLNO2
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| Molecular Weight |
189.64
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| Exact Mass |
189.055
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| CAS # |
7149-10-2
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| Related CAS # |
Vanillylamine;1196-92-5
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| PubChem CID |
165576
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| Appearance |
Typically exists as solid at room temperature
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| Boiling Point |
292.9ºC at 760 mmHg
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| Melting Point |
219-221 °C (dec.)(lit.)
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| Flash Point |
130.9ºC
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| LogP |
2.361
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
119
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].O(C([H])([H])[H])C1=C(C([H])=C([H])C(C([H])([H])N([H])[H])=C1[H])O[H]
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| InChi Key |
PUDMGOSXPCMUJZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
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| Chemical Name |
4-(aminomethyl)-2-methoxyphenol;hydrochloride
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2731 mL | 26.3657 mL | 52.7315 mL | |
| 5 mM | 1.0546 mL | 5.2731 mL | 10.5463 mL | |
| 10 mM | 0.5273 mL | 2.6366 mL | 5.2731 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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