| Catalog No | Package | Original Price | Price | Inventory | Quantity | Operating |
|---|---|---|---|---|---|---|
| SBP00170-100mg | 100mg | $35.00 | Sign in |
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Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃
40.4600
.7333
.7326
32.6434
3.2255
13.6462
Low
42.4941
1.5201
Yes
Yes
No
No
Yes
No
0.0
Yes
Yes
No
Yes
4-Hydroxybenzyl alcohol (4-HBA) is a naturally occurring phenolic compound widely found in various plants, attracting significant attention in pharmacology and natural product chemistry due to its unique bioactivity. As a natural product, 4-HBA exhibits significant anti-inflammatory, antioxidant, neuroprotective, and antitumor activities, especially showing potential therapeutic value in neurodegenerative diseases and tumor-related research. This paper will systematically review the chemical structure and physicochemical properties of 4-HBA, plant origin and extraction methods, pharmacological activity and mechanism of action, druggability evaluation, pharmacokinetic characteristics, and clinical application prospects, aiming to provide scientific basis and reference for in-depth research and drug development of this compound.
The chemical structure of 4-hydroxybenzyl alcohol is para-hydroxyl-substituted benzyl alcohol, with the molecular formula C7H8O2 and a molecular weight of 124.1390. Its structure contains a benzene ring, with one position connecting to the hydroxyl group (-OH) and the fourth position linking to the hydroxymethyl group (-CH2OH), making it a typical phenolic compound. This structure imparts good polarity and some hydrophilicity to 4-HBA, while maintaining the bioactive basis of phenolic compounds.
In terms of physicochemical properties, the LogP value of 4-HBA is 0.7333, indicating it has a moderate lipid-water partition coefficient and possesses certain lipid and water solubility. Its topological polar surface area (TPSA) is 40.4600, reflecting good polar group exposure, which is beneficial for binding to biological macromolecules. The water solubility is 32.6434, indicating good solubility in aqueous media, which is beneficial for absorption and distribution in the body. The blood-brain barrier penetration ability is relatively low, suggesting limited access to the central nervous system, but it still has some neuroprotective potential. The hERG channel inhibition test was negative, indicating a lower risk of cardiotoxicity for 4-HBA. Ames mutagenic test results were 0.0, indicating no significant genotoxicity.
4-Hydroxybenzyl alcohol is widely distributed in various plants, especially in Orchidaceae, Equisetaceae, and some medicinal plants. Species such as Dendrobium spp. and Equisetum spp. have been reported to be rich in 4-HBA. In plants, it mostly exists in free or bound forms, participating in antioxidant defense and metabolic regulation.
Common methods for extracting 4-HBA include solvent extraction, ultrasound-assisted extraction, and liquid chromatography separation. Ethanol or methanol is generally used as extraction solvents, and ultrasound-assisted extraction is used to improve extraction efficiency. Subsequently, liquid chromatography (HPLC) technology was used for purification and quantitative analysis. In recent years, green extraction technologies such as supercritical CO2 extraction and microwave-assisted extraction have gradually been applied to 4-HBA extraction, improving extraction efficiency and environmental friendliness.
4-HBA exhibits significant anti-inflammatory activity. Multiple in vitro and in vivo studies have shown that 4-HBA can inhibit the expression of various pro-inflammatory factors, such as tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β), and cyclooxygenase-2 (COX-2). Its anti-inflammatory mechanism mainly regulates the nuclear factor-κB (NF-κB) signaling pathway, reducing the release of inflammatory mediators and thereby alleviating tissue inflammatory responses.
As a phenolic compound, 4-HBA has excellent free radical scavenging ability. It can effectively remove reactive oxygen species (ROS) such as superoxide anions (O2•−) and hydroxyl radicals (•OH), reducing oxidative stress damage. 4-HBA activates the nuclear factor red line-related factor 2 (NRF2) signaling pathway, promoting the expression of antioxidant enzymes such as glutathione peroxidase (GPx) and superoxide dismutase (SOD), thereby enhancing cellular antioxidant defense.
Research on 4-HBA in the field of neuroprotection is particularly prominent. It can reduce damage to nerve cells caused by oxidative stress, inflammation, and apoptosis, protecting nerve function. Related studies have shown that 4-HBA inhibits neuronal apoptosis by regulating BCL2 family proteins (such as BCL2) and inhibiting caspase-3 (CASP3) activity. Additionally, 4-HBA affects the expression of amyloid precursor protein (APP), β-secretase (BACE1), and tubule-associated protein tau (MAPT), demonstrating its potential therapeutic value in neurodegenerative diseases such as Alzheimer's disease. Additionally, the inhibitory effect of 4-HBA on acetylcholinesterase (ACHE) helps increase the level of the neurotransmitter acetylcholine, thereby improving cognitive function.
Research in the field of oncology shows that 4-HBA can inhibit angiogenesis and proliferation in tumor cells. By inhibiting vascular endothelial growth factor (VEGF) and related signaling pathways, it blocks the formation of neovascular growth in tumors, limiting tumor growth and metastasis. In addition, 4-HBA can induce tumor cell apoptosis, regulate cell cycle-related proteins, and exert anti-tumor effects.
The multi-target mechanism of 4-HBA forms the basis of its broad pharmacological activity. In terms of neuroprotection, 4-HBA mainly targets the following molecules:
The coordinated regulation of these targets enables 4-HBA to exert multidimensional pharmacological effects in neuroprotection and antitumor activities.
The druggability parameters of 4-HBA indicate that it has certain potential for drug development. The molecular weight of 124.1390 is far below the upper limit of drug molecular weight, and the LogP value of 0.7333 conforms to the Lipinski rule, indicating good membrane permeability and bioavailability. TPSA is 40.4600, indicating moderate molecular polarity, which is conducive to binding to target proteins. Good water solubility, which is beneficial for formulation development and absorption in the body.
The blood-brain barrier has a lower penetration capacity and may limit the direct action of the central nervous system, but its brain distribution can be improved through structural modification or carrier systems. The hERG channel inhibition test was negative, reducing the risk of potential cardiotoxicity. The Ames test is non-mutagenic and has relatively high safety.
In terms of pharmacokinetics, current research is relatively limited. Preliminary in vivo experiments show that 4-HBA is well absorbed orally, has a moderate plasma half-life, and is mainly metabolized by the liver and excreted by the kidneys. In the future, further systematic pharmacokinetic and toxicological studies are needed to clarify their metabolic pathways and safe dosage ranges in vivo.
With its multi-target and multi-mechanism pharmacological activity, 4-HBA shows broad clinical application prospects, especially in neuroprotective and antitumor fields. In adjunctive therapy for neurodegenerative diseases such as Alzheimer's and Parkinson's disease, 4-HBA is expected to improve cognitive and motor functions by inhibiting neuroinflammation, reducing oxidative stress, and modulating neurotransmitters. Its anti-tumor angiogenesis properties also provide new strategies for tumor treatment.
However, the clinical translation of 4-HBA still faces many challenges. First, the low penetration rate of the blood-brain barrier limits the efficacy of its neurological drugs, requiring methods such as drug carriers and structural optimization to enhance brain targeting. Second, systematic pharmacokinetic and toxicological data are still insufficient, requiring larger-scale animal experiments and preclinical studies. Finally, formulation development and optimization of the route of administration for 4-HBA are also key research priorities for the future.
Future research should focus on structural modification of 4-HBA, development of nanocarrier delivery systems, combination drug strategies, and preclinical efficacy and safety evaluations to promote its translation into clinical application.
As a natural phenolic compound, 4-hydroxybenzyl alcohol has become an important subject of natural product pharmacological research due to its remarkable anti-inflammatory, antioxidant, neuroprotective, and antitumor activities. Its multi-target and multi-mechanism mode of action offers new ideas and potential drug candidates for the treatment of neurodegenerative diseases and tumors. Although current understanding of its pharmacokinetics and clinical applications remains limited, advances in extraction and purification technologies, drug design, and delivery systems suggest that 4-HBA is expected to play a key role in future drug development. Systematic and in-depth basic and applied research will lay a solid foundation for clinical translation and promote the widespread use of natural products in modern medicine.
