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| Other Sizes |
| Targets |
Vanillylamine does not have a specific therapeutic target but is a natural product and a biosynthetic intermediate for capsaicinoids. It activates the JNK pathway. As a precursor for capsaicin, it may interact with vanilloid receptors (TRPV1) through its downstream metabolites. The compound's mechanism of action is primarily related to its role in capsaicinoid biosynthesis and its ability to activate JNK signaling.
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| ln Vitro |
Vanillylamine is a natural product and a biosynthetic intermediate for capsaicinoids. It activates the JNK pathway. The compound has been shown to alleviate chemotherapy-induced myelosuppression and promote short-term hematopoietic stem cell (ST-HSC) proliferation. Vanillylamine is an aralkylamino compound that functions similarly to vanillyl alcohol.
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| ln Vivo |
In vivo, vanillylamine has been shown to alleviate chemotherapy-induced myelosuppression and promote short-term hematopoietic stem cell (ST-HSC) proliferation. As a natural product and capsaicinoid precursor, it may have potential for various biological activities. Specific in vivo efficacy studies for other indications are not extensively documented. The compound is intended for research use only.
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| Enzyme Assay |
The in vitro enzyme assay for vanillylamine typically involves measuring its activity as a substrate or product in the capsaicinoid biosynthesis pathway. Transaminase enzymes are incubated with vanillin and appropriate amino donors, and the formation of vanillylamine is measured by HPLC or LC-MS. The compound can also be used as a standard for the quantification of vanillylamine in biological samples. The compound is dissolved in water or DMSO for assay preparation.
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| Cell Assay |
In vitro cellular assays for vanillylamine typically involve treating hematopoietic stem cells or other cell types with the compound at concentrations ranging from 1 to 100 µM for various time periods. JNK pathway activation is assessed by measuring JNK phosphorylation by Western blot. Cell proliferation is assessed using MTT or colony formation assays. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for vanillylamine typically involve administration to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Chemotherapy-induced myelosuppression models are used to evaluate the compound's effects on hematopoietic recovery. Bone marrow and peripheral blood samples are collected for analysis of hematopoietic stem cell proliferation and differentiation.
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| ADME/Pharmacokinetics |
Vanillylamine has a molecular weight of 153.18 g/mol and formula C8H11NO2. It is a solid at room temperature. The compound is soluble in water and organic solvents such as DMSO and ethanol. Recommended storage is at -20°C. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination.
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| Toxicity/Toxicokinetics |
Vanillylamine is intended for research use only and is not approved for human therapeutic applications. As a natural product, it is generally considered to have low toxicity, but appropriate safety precautions should be taken when handling. Standard toxicity assessments would include acute toxicity, genotoxicity, and repeated-dose toxicity studies if required for specific applications. The compound is a derivative of vanillin and is used in capsaicinoid research.
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| References | |
| Additional Infomation |
Vanillylamine is an aryl alkylamine compound that functions similarly to vanillyl alcohol and is the conjugate base of vanillylamine (1+). Vanillylamine has been reported to be present in capsicum annuum (chili pepper), and relevant data are available. See also: ... (See more...)
Vanillylamine (CAS 1196-92-5) is a derivative of vanillin and an immediate precursor for capsaicinoids. It has a molecular weight of 153.18 g/mol and formula C8H11NO2. Vanillylamine activates the JNK pathway, alleviates chemotherapy-induced myelosuppression, and promotes ST-HSC proliferation. It is also known as 3-methoxy-4-hydroxybenzylamine, 4-hydroxy-3-methoxybenzylamine, and 香草胺. The compound is not approved for clinical use. |
| Molecular Formula |
C8H11NO2
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|---|---|
| Molecular Weight |
153.17844
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| Exact Mass |
153.079
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| CAS # |
1196-92-5
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| Related CAS # |
Vanillylamine hydrochloride;7149-10-2
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| PubChem CID |
70966
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| Appearance |
White to off-white solid powder
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| Density |
1.161g/cm3
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| Boiling Point |
292.9ºC at 760mmHg
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| Flash Point |
130.9ºC
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| Vapour Pressure |
0.00102mmHg at 25°C
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| LogP |
1.559
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
119
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
WRPWWVNUCXQDQV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
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| Chemical Name |
4-(aminomethyl)-2-methoxyphenol
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ~50 mg/mL (~326.41 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.32 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 (16.32 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 (16.32 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 | 6.5283 mL | 32.6413 mL | 65.2827 mL | |
| 5 mM | 1.3057 mL | 6.5283 mL | 13.0565 mL | |
| 10 mM | 0.6528 mL | 3.2641 mL | 6.5283 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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