Synonym name:
Catalogue No.: BP0923
Cas No.: 96850-30-5
Formula: C₂₂H₂₈O₆
Mol Weight: 388.46
Botanical Source: Rabdosia eriocalyx

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.

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

Introduction/Overview

Maoecrystal A (CAS No.: 96850-30-5) is a natural product isolated from the leaves of the medicinal plant Rabdosia eriocalyx. As a diterpenoid compound with a unique chemical structure, Calyx crystalline Armora has attracted widespread attention in pharmacology and natural product chemistry due to its remarkable antitumor activity. In recent years, as the incidence of cancer continues to rise, finding highly effective and low-toxicity anti-tumor drugs has become a key focus in drug development. Maolithine crystal A, with its multi-target regulatory capability and excellent druggability parameters, demonstrates significant clinical application potential.

This paper aims to systematically review the chemical structure and physicochemical properties of Calyx crystalline Astragalus, plant origin and extraction methods, pharmacological activity and mechanism, druggability evaluation, and pharmacokinetic characteristics. Combined with current research progress, it explores its clinical application prospects and future directions, providing theoretical basis and reference for drug development of this natural product.

Chemical structure and physicochemical properties

Calyx crystalline A is a diterpenoid compound with a complex cyclic framework, molecular formula C_22H_28O_6, and molecular weight 388.46. Its structure includes multiple oxidative functional groups and cyclic structures, giving it a unique spatial configuration and biological activity. According to the latest structural analysis data, Calyx crystalline Ael exhibits high stereoselectivity and stability, which is significant for its integration with biomacromolecules.

In terms of physicochemical properties, the LogP value of Calyx crystalline A is 1.6172, indicating moderate lipid solubility, which is beneficial for cell membrane penetration and distribution in vivo. Its polar surface area (TPSA) is 89.9 Ų, suggesting it has certain polar groups that facilitate interaction with target proteins. Its low water solubility (0.0915 mg/mL) somewhat limits its oral bioavailability, but it is expected to be overcome through appropriate administration routes and formulation techniques. The high permeability of the blood-brain barrier suggests it may also have potential application value in central nervous system diseases. Importantly, the calyx crystal armor did not show hERG channel inhibitory activity, and Ames-induced mutagenic tests were negative, indicating good safety and reduced risks of cardiotoxicity and genotoxicity.

Plant Origins and Extraction Methods

The main source of Rabdosia eriocalyx (Mao Calyx Zelan) is Rabdosia eriocalyx, a plant widely distributed in southern China and an important member of the genus Zelan in traditional Chinese medicine. Rabdosia eriocalyx is used in traditional Chinese medicine to treat inflammation, tumors, and infectious diseases, with pharmacological activity closely related to the abundance of diterpenoids in leaves.

The extraction of Calyx crystalline A is usually done using organic solvent extraction combined with column chromatography separation technology. The specific process includes: collecting fresh or dried Rabdosia eriocalyx leaves, crushing them, extracting them with methanol or ethanol, concentrating the extract, and then separating and purifying them by silica gel column chromatography or high-performance liquid chromatography (HPLC). In recent years, green extraction technologies such as supercritical CO_2 extraction and microwave-assisted extraction have also been applied to improve extraction efficiency and purity. In addition, structural identification of Calyx crystalline A mainly relies on modern analytical methods such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and infrared spectroscopy (IR).

Pharmacological activity research

Pharmacological research on Calyx crystalline Aegis mainly focuses on antitumor activity. In vitro cell experiments have shown that Calyx crystalline thyrophylium has a significant inhibitory effect on various tumor cell lines, including breast, lung, colorectal, and prostate cancers. Its half inhibitory concentration (IC_50) is generally in the low micromolar range, indicating strong cytotoxicity.

Animal model studies further confirmed the anti-tumor effects of the hairy calyx crystal armor. By inhibiting tumor growth, inducing tumor cell apoptosis, and blocking tumor angiogenesis, the Calyx crystal armor significantly extended the survival of tumor model animals. Additionally, it has low toxicity to normal cells, demonstrating good selectivity and safety.

In addition to antitumor activity, Calyx crystalline snails also exhibit certain anti-inflammatory, antioxidant, and immunomodulatory effects. Research shows that it can regulate the expression of inflammatory factors, reduce oxidative stress damage, and enhance immune function, providing theoretical support for multi-target therapy.

Mechanism of action and molecular targets

The antitumor mechanism of the hairy calyx crystal snail involves multiple signaling pathways and key molecular targets, reflecting its multi-target synergistic effect. The main targets include:

• MCL1 and BCL2: As anti-apoptotic proteins, MCL1 and BCL2 play key roles in tumor cell survival. Calyx crystal A promotes tumor cell apoptosis by downregulating the expression of these two proteins.
• STAT3: The STAT3 signaling pathway plays an important regulatory role in tumor cell proliferation, immune evasion, and angiogenesis. Calyx crystal A can inhibit the phosphorylation and activation of STAT3, blocking the expression of its downstream tumor-causing genes.
• MMP2: Matrix metalloproteinase 2 is involved in tumor cell invasion and metastasis. Calyx crystal armor inhibits MMP2 activity, reducing tumor cell migration ability.
• TOP1 and TOP2A: Topoisomerases 1 and 2A are important enzymes for DNA replication and transcription. Calyx crystal A inhibits the activity of these enzymes, hindering DNA repair and replication in tumor cells.
• HIF1A: Hypoxia-inducing factor 1α regulates tumor cells' adaptation to hypoxic environments. The calyx crystal inhibits HIF1A expression, interfering with tumor metabolic reprogramming and angiogenesis.
• MAPK1: Mitogen-activated protein kinase 1 participates in cell proliferation and differentiation signaling. The calyx crystal A regulates the MAPK1 signaling pathway and inhibits tumor cell proliferation.
• ESR1 and CYP19A1: estrogen receptor α and aromatases play important roles in hormone-dependent tumors such as breast cancer. The hairy calyx crystal nail intervenes in tumor hormone signaling by regulating these two targets.

In summary, Calyx crystalline A regulates tumor cell proliferation, apoptosis, invasion, and metabolism through multiple targets and pathways, demonstrating a complex and effective anti-tumor mechanism.

Druggability evaluation and pharmacokinetics

The druggability evaluation of Mao Calyx crystal armor indicates that it has good potential for drug development. The molecular weight of 388.46 falls within the ideal range of Lipinski's rule, with a LogP of 1.6172, indicating moderate lipid solubility and beneficial absorption and distribution in the body. TPSA is 89.9 Ų, indicating moderate polarity, balancing solubility and membrane permeability.

Low water solubility (0.0915 mg/mL) is a major limiting factor for druggability, requiring formulation improvements or drug carrier technologies to enhance bioavailability. Maolith crystalline armor has high blood-brain barrier permeability, suggesting its potential in treating central nervous system diseases.

In terms of safety, the calyx crystalline armor does not inhibit hERG channels, reducing the risk of cardiotoxicity; Ames test was negative, indicating no obvious genotoxicity. These data provide a solid safety foundation for its clinical development.

Pharmacokinetic research is still in its early stages, and parameters such as metabolic pathways and half-life in vivo need further clarification. Preliminary animal experiments show that Calyx crystalline Aegis is absorbed orally more slowly, is widely distributed in the body, and is mainly cleared by liver metabolism. In the future, systematic pharmacokinetics and toxicology studies are needed to optimize the administration regimen.

Prospects and outlooks for clinical applications

As a multi-target anti-tumor natural product, Calyx crystal armor has broad clinical application prospects. Its remarkable antitumor activity and good safety profile make it a strong candidate for anticancer drug development. Especially in the treatment of common malignant tumors such as breast cancer and lung cancer, Maocalyx Crystal A is expected to overcome resistance issues of single-target drugs by regulating multiple tumor-related signaling pathways.

Additionally, the blood-brain barrier permeability of Calyx crystalline snails offers potential applications in brain tumors and neurological diseases. In the future, nanodrug carrier technology can be combined to enhance targeting and bioavailability, expanding its indication range.

However, current clinical research on Mao Calyx crystalline A remains limited, lacking systematic clinical trial data. In the future, it is necessary to strengthen pharmacokinetics, toxicology, and preclinical evaluations, conduct multicenter clinical trials, and verify efficacy and safety. At the same time, modern molecular biology and medicinal chemistry methods are used to optimize its structure, develop derivatives, and enhance its activity and selectivity.

Overall, Mao Cao Crystal A, as a model for natural product drug development, holds significant potential as a novel anti-tumor drug and is worthy of ongoing in-depth research.

Conclusion

As a natural diterpenoid compound isolated from Rabdosia eriocalyx, Maocalyx crystalloid has become a research hotspot in the field of natural product pharmacology due to its unique chemical structure and multi-target antitumor activity. Its excellent druggability parameters and safety have laid a solid foundation for clinical development. In the future, by deeply analyzing its mechanism of action, optimizing pharmacokinetic characteristics, and conducting clinical studies, Mao'e Crystal A is expected to become an important new drug in the field of anti-tumor therapy, offering new treatment options for cancer patients.