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Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃
109.5000
2.3917
2.3917
.0311
2.5696
3.6050
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82.8405
5.3960
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No
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Yes
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0.3
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No
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Cinobufaginol (CAS No.: 6691-83-4) is a natural toad dienol compound isolated from toad venom. Toad venom, as a traditional Chinese medicinal herb, has a long history and is widely used in the treatment of various diseases, especially showing remarkable potential in the field of anti-tumor treatment. In recent years, with the deepening development of natural product pharmacology, Huachan Toxic Refined Alcohol has become a hot topic in anticancer drug research due to its unique chemical structure and remarkable biological activity. This paper aims to systematically review the chemical structure and physicochemical properties, sources and extraction methods, pharmacological activity, mechanism of action, druggability evaluation, and clinical application prospects of Huachan Toxic Refined Alcohol, aiming to provide theoretical basis and reference for in-depth research and drug development of this natural product.
Huachan toxic refined alcohol belongs to the toad dienool class of compounds, with a molecular formula of C27H38O7 and a molecular weight of 458.5510. Its structural features include a typical steroid backbone, containing multiple hydroxyl and ester groups, which impart strong biological activity. The LogP value was 2.3917, indicating moderate lipid solubility, which is beneficial for cell membrane penetration. The topological pole surface area (TPSA) is 109.5 Ų, indicating moderate polarity, which may affect its absorption and distribution characteristics. Low water solubility (0.0311 mg/mL) suggests limited solubility in vivo, and bioavailability may be improved through formulation improvements. Huachan toxic refined alcohol has a high blood-brain barrier penetration ability, suggesting its potential application value in central nervous system diseases. The hERG channel inhibition test was negative, indicating a low risk of cardiotoxicity. The Ames test result was 0.3, indicating low mutagenicity and good safety.
Huachan toxic alcohol mainly comes from the venom of the skin of toads (Bufo spp.). Toad venom, as the main ingredient in the traditional Chinese medicinal material "Toad Venom," has a long history and is widely used in traditional Chinese medicine. Traditional extraction methods typically use organic solvent extraction combined with column chromatography separation. The specific steps include: first, drying the toad venom into powder, extracting it with methanol or ethanol to extract a mixture containing various toad dienools. Subsequently, silica gel column chromatography and reversed-phase high-performance liquid chromatography (RP-HPLC) were used for separation and purification, ultimately yielding high-purity Huachan toxic refined alcohol. Modern extraction technologies such as ultrasound-assisted extraction and microwave-assisted extraction are also gradually being applied to improve extraction efficiency and purity. In addition, with the development of biosynthesis technology, chemical and semi-synthesis methods for Huachan toxic refined alcohol have also been reported, making large-scale production possible.
Research on the pharmacological activity of Huachan toxic refined alcohol mainly focuses on its antitumor effects. In vitro cell experiments showed that Huachan toxic sperm alcohol exhibited significant inhibitory effects on various tumor cell lines, especially showing strong cytotoxicity in the nasopharyngeal carcinoma cell lines CNE-1 and CNE-2Z, with IC50 values of 803 μM and 1.270 μM respectively, indicating greater selectivity and potency against CNE-2Z cells. In addition, Huachan toxic sperm alcohol exhibits potential antiproliferative and pro-apoptotic activities in various tumor models including breast, lung, and liver cancer.
In addition to its antitumor effects, Huachan Toxic Refined Alcohol also exhibits certain anti-inflammatory, antioxidant, and immunomodulatory functions, which may synergistically enhance its anti-tumor effects. In animal experiments, Huachan toxic refined alcohol effectively inhibits tumor growth, prolongs survival in experimental animals, and has few side effects, demonstrating good safety and therapeutic potential.
The antitumor mechanism of Huachan Toxic Sperm Alcohol involves multiple signaling pathways and molecular targets, mainly including:
Regulation of anti-apoptosis-related proteins
Huachan toxic sperm alcohol promotes tumor cell apoptosis by downregulating the expression of anti-apoptotic proteins MCL1 and BCL2. MCL1 and BCL2 are key regulators of the apoptosis pathway, and their inhibition helps restore programmed cell death.
Signal transduction pathway regulation
This compound can inhibit STAT3 activity, block the expression of its downstream tumor-promoting genes, and suppress tumor cell proliferation and metastasis. As a key oncogenic signaling molecule for various tumors, STAT3's inhibition is an important strategy for anti-tumor therapy.
Inhibition of matrix-degrading enzymes
Huachan toxic refined alcohol can reduce the expression of matrix metalloproteinase MMP2, inhibiting tumor cell invasion and metastasis.
DNA topoisomerase inhibition
By inhibiting TOP1 and TOP2A, Huachan toxic spermol interferes with DNA replication and transcription, hindering tumor cell proliferation.
Regulation of hypoxia-inducing factors
Inhibits HIF1A expression, reduces tumor cells' adaptability to hypoxic environments, and inhibits neovascularization in tumors.
MAPK signal path regulation
By modulating MAPK1, it influences the signaling transduction of cell proliferation and apoptosis.
Hormone-related targets
Huachan toxic e-sterol regulates estrogen receptor ESR1 and aromatase CYP19A1, suggesting its potential application in hormone-dependent tumors.
In summary, Huachan Duxinjiol exerts its antitumor effects through multi-target and multi-pathway synergistic effects, demonstrating a strong pharmacological foundation.
The druggability parameters of Huachan Toxic Refined Alcohol indicate that it has good potential for drug development. The molecular weight of 458.55 meets the requirements of the Lipinski rule, and a LogP value of 2.39 indicates moderate lipid solubility, which is beneficial for cell membrane permeability. TPSA was 109.5 Ų, slightly above the ideal range but still within acceptable limits, indicating moderate polarity that may affect oral absorption.
Low water solubility (0.0311 mg/mL) is a major challenge for druggability, requiring formulation techniques such as nanoparticles, liposomes, or solid dispersions to improve solubility and bioavailability. High blood-brain barrier permeability offers potential for its application in neurosystem-related diseases, but potential toxicity in the central nervous system is also warranted.
The hERG channel inhibition test was negative, indicating a low risk of cardiotoxicity and favorable for safety evaluation. Ames test results showed that it has low mutagenicity and good safety.
Currently, pharmacokinetic research on Huachan toxic sperm alcohol is limited. It is known to have certain stability and wide distribution in vivo, but its metabolic pathways, half-life, and excretion modes still require further systematic research to provide data support for clinical application.
Huachan Toxic Refined Alcohol, as a natural product with multi-target antitumor activity, has broad clinical application prospects. Its significant inhibitory effect on cancer cells such as nasopharyngeal carcinoma, combined with favorable safety indicators, makes it a strong candidate for antitumor drug development. Future research should focus on the following aspects:
Systematic research on pharmacokinetics and toxicology
By studying in vivo and in vitro, the absorption, distribution, metabolism, and excretion characteristics are clarified to assess the safety and potential toxic side effects of long-term medication.
Dosage form optimization and drug delivery route exploration
Solving its poor water solubility, improving bioavailability, and exploring various delivery methods such as oral, injection, and local administration.
In-depth mechanism analysis and multi-target synergistic research
Using modern molecular biology techniques, it further reveals its mechanism of action, uncovers potential synergistic targets, and provides a theoretical basis for combination therapy.
Preclinical and clinical trial implementation
Animal models have been used to verify its anti-tumor efficacy and safety, gradually advancing to clinical trial stages to evaluate treatment efficacy and tolerability.
Expanding indication research
Beyond tumors, given its anti-inflammatory and immunomodulatory multiple biological activities, its potential applications in inflammatory diseases, immune-related diseases, and neurological disorders are being explored.
In summary, Huachan Toxic Refined Alcohol, as a natural product with a unique structure and multiple pharmacological activities, has the potential to become a novel anti-tumor drug and is worthy of further research and development.
Huachan toxic refined alcohol, as an important active ingredient in toad venom, has become a hot topic in natural product pharmacology research due to its unique chemical structure and significant anti-tumor activity. Its multi-target and multi-pathway mechanisms offer new ideas and strategies for anti-tumor therapy. Although there are still certain challenges in pharmacokinetics and clinical applications, with deeper research and technological advancements, Huachan Toxic Refined Alcohol is expected to become an important candidate for clinical anti-tumor drug development. Future research should focus on mechanism analysis, formulation optimization, and clinical translation, promoting its transition from the laboratory to clinical application and benefiting patients.
Shenshuai
Wenjing
Hedandan
