Synonym name:
Catalogue No.: BP0126
Cas No.: 55576-66-4
Formula: C₃₇H₄₆O₁₂
Mol Weight: 682.763
Botanical Source: Agrimonia pilosa

Purity: 95%~99%
Analysis Method: HPLC-DAD or/and HPLC-ELSD
Identification Method: Mass, NMR
Packing: Brown vial or HDPE plastic bottle
Can be supplied from milligrams to grams.

For Reference Standard and R&D, Not for Human Use Directly.
Inquire for bulk scale.

HPLC of Agrimol B

HNMR of Agrimol B

Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃

Introduction/Overview

Agrimol B (CAS No.: 55576-66-4) is a polyphenolic compound derived from natural plants. Due to its remarkable multiple pharmacological activities such as antibacterial, anti-obesity, and antitumor effects, it has attracted widespread attention in the field of natural product pharmacology in recent years. As an orally effective SIRT1 activator, Acrocrophenol B not only shows potential therapeutic value in regulating metabolic signaling pathways, but also exhibits good inhibitory effects against various plant pathogens, demonstrating its dual application potential in agriculture and pharmaceuticals. This paper systematically reviews the chemical structure, plant origin, pharmacological activity, mechanism of action, and druggability evaluation of Agrimonia phenol B, aiming to provide a theoretical foundation and research direction for its clinical development and application.

Chemical structure and physicochemical properties

Agrimonia phenol B is a natural polyphenol product with a molecular weight of 686.75 and high polarity, as shown by a TPSA (topological surface area) of 205.62 and 12 hydrogen bond acceptors, indicating that its molecule contains abundant hydroxyl groups and other polar groups. Its LogP value is 5.5, indicating strong hydrophobicity, which may affect its biofilm permeability and oral absorption efficiency. The molecular structure of Agrimonium phenol B gives it excellent SIRT1 activating activity, and its large molecular weight and number of polar groups suggest its potentially complex distribution and metabolism in vivo.

From a pharmacokinetic perspective, Agrimonia phenol B has relatively low blood-brain barrier penetration, suggesting that its role in the central nervous system may be limited. There is currently no definitive data on its hepatotoxicity, cardiotoxicity, and hERG channel inhibition, indicating that further in-depth research is needed. Additionally, the Ames trial results are still unclear, and safety evaluation still needs further analysis.

Plant Origins and Extraction Methods

Agrimonia phenol B is mainly found in traditional Chinese medicinal herbs such as Agrimonia pilosa Ledeb. As a perennial herbaceous plant widely distributed throughout East Asia, Agrimonia has long been used to treat diseases such as inflammation, diabetes, and metabolic syndrome. The extraction of Agrimonia phenol B typically uses organic solvent extraction combined with column chromatography separation technology. Common solvents include ethanol, methanol, and ethyl acetate. Optimized extraction processes can effectively improve yield and purity.

In recent years, modern extraction technologies such as ultrasound-assisted extraction (UAE) and microwave-assisted extraction (MAE) have also been applied to the efficient extraction of Agrimonia phenol B, significantly shortening extraction time and improving extraction efficiency. After purification by silica gel column chromatography and high-performance liquid chromatography (HPLC), the extract was identified by combining mass spectrometry (MS) and nuclear magnetic resonance (NMR) technologies to ensure that the obtained Agrimonium Phenol B has high purity and structural accuracy.

Pharmacological activity research

Antibacterial activity

Agrimony phenol B exhibits significant antibacterial activity against various plant pathogens, especially against Pseudomonas syringae pv. syringae) has a good inhibitory effect. In addition, it also inhibits important agricultural pathogens such as fungi (Fusarium spp.), Ralstonia solanacearum, and Bemisia tabaci. These pathogens are the main pathogens causing bacterial leaf spot, tomato bacterial wilt, and tobacco wildfire disease. The antibacterial activity of Agrimonia phenol B provides a theoretical basis for its application in plant protection.

Anti-obesity and metabolic regulatory activity

As a SIRT1 activator, Agrimonium phenol B demonstrates potential value in the treatment of obesity and metabolic syndrome by modulating the SIRT1-PPAR signaling pathway. In vitro experiments showed that Agrimonia Phenol B significantly inhibited the differentiation of 3T3-L1 adipocytes. Its mechanism involves downregulating adipogenesis-related transcription factors PPARγ, C/EBPα, and fatty acid synthase (FAS), while simultaneously modulating the expression of uncoupling protein 1 (UCP-1) and apolipoprotein E (apoE), suppressing adipogenesis in fat cells and reducing fat accumulation.

In vivo animal model studies have also confirmed that Agrimonium Phenol B can promote lipid metabolism by activating SIRT1, improve insulin resistance, and alleviate obesity-related inflammatory responses, demonstrating its potential as an anti-obesity drug development.

Antitumor activity

Agrimonium phenol B exhibits effects on various cancer cell lines by inhibiting proliferation and inducing apoptosis. Its antitumor activity may be closely related to regulating cell cycle and apoptosis-related proteins. Research shows that Agrimonia phenol B can downregulate the expression of c-MYC and SKP2, promote the accumulation of cell cycle inhibitory protein p27, thereby blocking the cell cycle process and suppressing tumor cell proliferation. Additionally, Agrimonia phenol B may enhance tumor cell apoptosis sensitivity by regulating oxidative stress and inflammatory signaling pathways.

Other pharmacological effects

The potential role of Agrimol B in diseases such as benign prostatic hyperplasia (BPH) has also drawn attention. Relevant targets include MAOA, ESR1/2, APEX1, ABCG2, ALOX5, TOP2A, PPARG, and ELANE, suggesting that they may regulate prostate tissue proliferation and inflammatory responses through multiple targets and pathways, showing potential for development as adjunctive therapies for BPH.

Mechanism of action and molecular targets

The multipharmacological effects of Agrimonia phenol B mainly depend on its regulation of key molecular targets and signaling pathways. As a SIRT1 activator, it promotes deacetylation reactions, regulates the downstream PPARγ signaling pathway, and affects adipocyte differentiation and metabolism. Additionally, by regulating the lipogenesis-related transcription factors C/EBPα, FAS, and the energy metabolism-related protein UCP-1, Agrimonium Phenol B effectively inhibits the fat-forming process of fat cells.

In terms of antitumor effects, Agrimonium phenol B increases p27 levels by downregulating c-MYC (a key oncogene transcription factor) and SKP2 (cell cycle regulator protein), blocking cell cycle progression and inducing apoptosis. Its mechanism of action on various cancer cells may involve regulating cell proliferation, apoptosis, and metabolic reprogramming.

In terms of antibacterial mechanisms, Agrimonia phenol B may inhibit plant pathogens by disrupting bacterial cell membrane structures, inhibiting key enzyme activities, and interfering with pathogenic signaling pathways. The specific molecular mechanisms require further research.

Additionally, the regulation of benign prostatic hyperplasia-related targets by Agrimonia B suggests it has multi-target effects in regulating hormone metabolism, oxidative stress, and cell proliferation, reflecting its complex pharmacological network.

Druggability evaluation and pharmacokinetics

Agrimonium phenol B has a relatively large molecular weight (686.75) and a LogP value of 5.5, indicating strong hydrophobicity, which may affect its oral bioavailability and in vivo distribution. A higher TPSA (205.62) and hydrogen bond receptor count (12) suggest its higher molecular polarity, which may limit its passive diffusion through the cell membrane.

The lower penetration ability of the blood-brain barrier suggests that Agrimonia phenol B has limited effects in the central nervous system, which is an advantage for it as a drug for peripheral metabolic diseases and reduces the risk of central side effects. Regarding its hepatotoxicity, cardiotoxicity, and hERG channel inhibition safety indicators, systematic data are currently lacking and require comprehensive evaluation through in vivo and in vitro toxicology experiments.

Pharmacokinetic research is still in its early stages, and future attention should focus on its absorption, distribution, metabolism, and excretion (ADME) characteristics, especially hepatic metabolic pathways and the activity and toxicity of its metabolites. In addition, the oral stability and bioavailability of Agrimonium phenol B urgently need optimization, and its druggability may be enhanced through drug carrier systems or structural modifications.

Prospects and outlooks for clinical applications

Given the significant activity of Agrimonium Phenol B in anti-obesity, anti-tumor, and antibacterial aspects, its clinical development prospects are broad. As a natural SIRT1 activator, Agrimonium Phenol B offers new ideas for the treatment of metabolic diseases such as obesity, diabetes, and related cardiovascular diseases. Its inhibitory effect on the differentiation of 3T3-L1 adipocytes and its metabolic improvement in vivo support its potential as a metabolic regulator.

In the field of tumor treatment, Agrimonium phenol B demonstrates good anti-tumor activity by regulating cell cycle and apoptosis-related proteins. In the future, it can be combined with chemotherapy or targeted therapy strategies to be developed as an adjuvant anti-cancer drug. Its antibacterial activity provides a natural and environmentally friendly solution for agricultural disease control, reducing the risks associated with chemical pesticide use.

However, the drugability and safety of Agrimonium Phenol B still require systematic evaluation, especially regarding its pharmacokinetic properties and potential toxicity. Structural optimization, dosage form development, and preclinical animal model validation are key areas of future research. In addition, an in-depth analysis of its multi-target mechanism of action will help accurately pinpoint its clinical indications and optimize treatment plans.

Conclusion

Agrimonia phenol B, as a multifunctional natural polyphenolic compound, demonstrates broad application potential in antibacterial, anti-obesity, and antitumor fields due to its unique structure and multi-target regulatory capabilities. Although research on its druggability and safety is still incomplete, with optimization of extraction processes, in-depth analysis of pharmacological mechanisms, and systematic studies of pharmacokinetics, Agrimonium phenol B is expected to become an important candidate molecule in the development of natural product drugs. Future research should focus on its preclinical evaluation, structural modification, and combination drug strategies, laying a solid foundation for clinical translation and promoting innovative applications of natural products in modern medicine.