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Synonym name: Neoline
Catalogue No.: BP0292
Cas No.: 466-26-2
Formula: C24H39NO6
Mol Weight: 437.577
Botanical Source: Alkaloid from Aconitum bullatifolium var. homotrichum, Aconitum napellus, Aconitum nagarum, Aconitum sczukini, Aconitum soongoricum, Aconitum sachalinense var. compactum, Aconitum carmichaeli, Aconitum karakolicum, Aconitum teipeicum and Aconitum ibukien
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 Bullatine B
Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃
98.9600
1.8000
1.5000
Low
No
No
Unknown
Unknown
No
Unknown
Bullatine B, an important natural diterpene alkaloid, is mainly isolated from plants of the genus Aconitum (Aconitum spp.). Aconite plants are widely used in traditional Chinese medicine, especially renowned for their remarkable analgesic, anti-inflammatory, and antitumor properties. As a derivative of aconite alkaloids, Xueshang Yizhihao acetosein has attracted widespread attention in recent years in pharmacology and natural product chemistry due to its unique molecular structure and multi-target pharmacological activity. This paper systematically reviews the chemical structure and physicochemical properties of Xueshang Yizhihao acetosetin, plant origin and extraction methods, pharmacological activity and mechanism of action, druggability evaluation, and pharmacokinetic characteristics, and looks ahead to its clinical application prospects, aiming to provide a theoretical basis and reference for subsequent research and drug development.
Bullatine B (CAS No.: 466-26-2) has the molecular formula C24H39NO6 and a molecular weight of 421.57 Da. Its structure belongs to diterpene alkaloids, specifically hydrogenated derivatives of aconite diterpene alkaloids, containing various functional groups such as tertiary alcohols, triols, and secondary alcohols, and possessing a bridging structure and an organic heteropolycyclic backbone. The molecule contains multiple hydroxyl and amino groups, giving it high polarity and diverse chemical reactivity levels.
In terms of physicochemical properties, the LogP value of Artemisia xenoacetin on snow is about 1.8, indicating moderate lipid solubility, which facilitates cell membrane permeability without excessive hydrophobicity. Its topological polar surface area (TPSA) is 98.96 Ų, and it has 6 hydrogen bond acceptors, indicating strong hydrogen bonding ability when binding to biological macromolecules. The blood-brain barrier has low permeability, suggesting limited distribution in the central nervous system. Regarding safety indicators such as hepatotoxicity, cardiotoxicity, hERG channel inhibition, and mutagenicity (Ames test), systematic data are currently lacking and further research is urgently needed.
Xueshang Yizhihao ethylene is mainly found in Aconitum species, with typical representatives including Aconitum carmichaelii and Aconitum kusnezoffii. These plants are widely distributed in East Asian regions such as China, Japan, and South Korea, and have long been used as traditional Chinese medicinal materials to treat rheumatic pain, cardiovascular diseases, and tumors.
The extraction method typically uses organic solvent extraction combined with separation and purification technology. Traditional processes often use ethanol or methanol aqueous solutions for reflux extraction of dried plant roots and stems, followed by acid-base adjustment to enrich alkaloids. The purification steps include liquid-liquid extraction, column chromatography (such as silica gel columns, C18 reversed-phase columns), and high-performance liquid chromatography (HPLC) separation, ultimately resulting in high-purity artemisinacet on snow. In recent years, new technologies such as ultrasound-assisted extraction and microwave-assisted extraction have also been applied to improve extraction efficiency and purity.
Pharmacological activity studies of Xueshang Yizhihao ethetin mainly focus on its antitumor effects. Numerous in vitro cell experiments and some in vivo model studies have shown that Xueshang Yizhihao acetosetin can significantly inhibit the proliferation of various tumor cells, induce apoptosis, and suppress tumor metastasis. Its anti-tumor spectrum covers various solid tumor types, including breast, lung, and liver cancer.
In addition, Xueshang Yizhihao ethetin also exhibits certain anti-inflammatory and immunomodulatory effects, possibly exerting auxiliary anti-tumor effects by modulating inflammatory factors and immune cell function. Some studies have also found that it inhibits angiogenesis in the tumor microenvironment, further blocking the tumor's nutrient supply.
The antitumor mechanism of Xueshang Yizhihao acetin involves multiple signaling pathways and key molecular targets, reflecting its multi-target and multi-mechanism pharmacological characteristics. The main targets include:
MCL1 and BCL2: As anti-apoptotic proteins, MCL1 and BCL2 play key roles in tumor cell survival. Xueshang Yizhi Artemisia acetic promotes apoptosis signal transduction within tumor cells by downregulating the expression of these proteins.
STAT3: Signal transduction and transcription activator factor 3 (STAT3) is an important regulatory factor for tumor cell proliferation and immune evasion. Xueshang Yizhihao acetic can inhibit the phosphorylation and activation of STAT3, blocking the expression of its downstream tumor-promoting genes.
MMP2: Matrix metalloproteinase 2 (MMP2) is involved in tumor cell invasion and metastasis. Xueshang Yizhihao acetosetin reduces tumor cell migration ability by inhibiting MMP2 activity.
TOP1 and TOP2A:D NA topoisomerases I and IIα are important enzymes for DNA replication and transcription in cells. Xueshang Yizhihao acetosetin may block the DNA metabolism of tumor cells by interfering with the function of these enzymes.
HIF1A: Hypoxia-inducing factor 1α regulates tumor cells' adaptation to hypoxic environments and promotes angiogenesis. Xueshang Yizhihao acetic inhibits HIF1A expression and inhibits tumor angiogenesis.
MAPK1: Mitogen-activated protein kinase 1 participates in cell proliferation and differentiation signaling. Its inhibition helps block the proliferation signals of tumor cells.
ESR1 and CYP19A1: Estrogen receptor α (ESR1) and aromatase (CYP19A1) play important roles in hormone-dependent tumors such as breast cancer. Xueshang Yizhihao acetin may have potential therapeutic value for hormone-related tumors by modulating these targets.
In summary, Xueshang Yizhihao Acetin regulates key processes such as tumor cell proliferation, apoptosis, invasion, and angiogenesis through multi-target synergistic effects, demonstrating strong anti-tumor potential.
From the perspective of druggability, the molecular weight (421.57 Da) and LogP (1.8) of Xueshang Yizhihao acetosin met the "drug similarity" criteria in drug design, indicating good membrane permeability and in vivo distribution potential. Its TPSA (98.96 Ų) and hydrogen bond acceptor number (6) indicate moderate molecular polarity, which is favorable for stable binding to target proteins.
The blood-brain barrier has low permeability, which may limit its application in the central nervous system, but it has no significant adverse effect on most peripheral tumor treatments. Existing data have not yet clarified the hepatic metabolic pathways and metabolites, and safety indicators such as hepatotoxicity, cardiotoxicity, and hERG channel inhibition lack systematic evaluation, requiring systematic pharmacokinetics (PK) and toxicology studies.
Preliminary in vivo pharmacokinetic studies show that Xueshang Yizhihao acetosetin has a moderate half-life in plasma after oral administration and injection, and its bioavailability needs further optimization. Its metabolism may involve the hepatic cytochrome P450 enzyme system. Future research on metabolic enzymes in vivo and in vitro should clarify its metabolic pathways and potential drug interaction risks.
Xueshang Yizhihao acetose, as a natural diterpene alkaloid, has good clinical translation potential due to its multi-target antitumor activity. Its anti-tumor mechanisms are diverse, inducing tumor cell apoptosis while inhibiting tumor invasion and angiogenesis, making it suitable for development as an active ingredient in multi-mechanism anticancer drugs or combination therapy regimens.
Future research should focus on the following areas:
Systematic pharmacokinetic and toxicological evaluation: clarifying in vivo metabolic pathways, half-life, distribution characteristics, and safety, providing scientific evidence for clinical trials.
Structural modification and drug design: Structural optimization is carried out based on the core framework of Xueshang Yizhihao acetose, enhancing its bioavailability and targeting to reduce potential toxic side effects.
In-depth Mechanism Research: Using multi-omics techniques and molecular biology methods, further elucidating its mechanism of action and synergistic effects with other drugs.
Preclinical and clinical trials: Systematic efficacy and safety evaluations of animal models are conducted, gradually advancing to the clinical trial stage to verify therapeutic effects and tolerability.
Multi-target combination therapy strategy: Combining modern precision medicine concepts, exploring the combined application of Xueshang Yizhihao acetosetin with targeted drugs and immunotherapy drugs to enhance anti-tumor efficacy.
Xueshang Yizhihao acetose, as an important diterpene alkaloid in Aconitum species, demonstrates broad prospects for drug development thanks to its unique chemical structure and multi-target antitumor activity. Although its pharmacokinetics and safety research are still insufficient, with continuous advances in modern pharmacology and molecular biology technologies, Xueshang Yizhihao acetosetin is expected to become an important candidate molecule for novel antitumor drugs. In the future, through systematic pharmacological mechanism research, structural optimization, and clinical evaluation, Xueshang Yizhihao acetin is expected to bring new breakthroughs and contributions to the field of tumor treatment.
Shenshuai
Wenjing
Hedandan
