Delving into the Latest Updates on Rotundine with Synapse

Overview

Basic Info

Drug Type

Small molecule drug

Synonyms

Target

DRDs

Action

antagonists

Mechanism

DRDs antagonists(Dopamine receptors antagonists)

Therapeutic Areas

Nervous System DiseasesOther Diseases

Active Indication

PainHeadache

Inactive Indication-

Originator Organization-

Active Organization

Beijing Sihuan Pharmaceutical Technology Co. Ltd.Academy of Military Med Sci, Inst of Toxicology & Pharmacology

Inactive Organization-

License Organization-

Drug Highest PhaseApproved

First Approval Date-

Regulation-

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Structure/Sequence

Molecular FormulaC21H25NO4

InChIKeyAEQDJSLRWYMAQI-UHFFFAOYSA-N

CAS Registry2934-97-6

A comprehensive characterization strategy for the intelligent analysis of multiple chemical components in Yangxinshi Tablet (YXST) was established. The strategy developed the deep learning-assisted mass defect filtering intelligent classification, preferred ions capture list and active exclusion (DLA-MDF-PIL-AE) data acquisition mode by online comprehensive two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (2DLC-Q-TOF-MS/MS). Firstly, the online 2DLC-Q-TOF-MS/MS system was constructed and the orthogonality was evaluated. Secondly, the user interface for deep learning-assisted MDF intelligent classification technology was developed and applied to compounds classification to generate preferred ion capture lists of various types compounds. Finally, molecular networking (MN), associated neutral loss (NL) fragments, and characteristic diagnosis ion (CDI) were utilized for the automatic and manual annotation of compounds, respectively. As a result, a total of 228 compounds including 80 flavanoids, 52 alkaloids, 36 phenolic acids, 15 terpenoids, 17 saponins and 28 others were preliminary identified from YXST and source attribution was assigned to them. Furthermore, 39 compounds were simultaneously quantified by ultra-high performance liquid chromatography coupled with triple quadrupole mass spectrometry (UHPLC-MS/MS) method. Conclusively, the proposed integrated strategy proved to be a powerful method for characterizing multiple components in complex natural products.

01 Jun 2025·Food Chemistry

High-throughput screening of new psychoactive substances and related compounds in food by UHPLC-Q/Orbitrap

Article

Author: Wu, Wenlin ; Huang, Xia ; Liu, Shiyao ; Chen, Xiaoqi ; Zhou, Yan ; Wan, Yuping ; Xia, Bing ; Guo, Tianrong ; Shi, Peiyu ; Xiao, Quanwei ; Zhang, Min

Currently, there is concern about food products to which new psychoactive substances (NPS) have been added illegally. However, rapid, high-sensitivity, and high-throughput screening methods for such harmful substances have not been reported yet. In this study, a high-throughput non-targeted screening strategy was developed based on UHPLC-Q/Orbitrap. First, optimized pretreatment methods for typical high-risk matrices were established. Second, an accurate, efficient, and scalable high resolution mass spectrometry database containing 206 NPS and related compounds was constructed. The fragmentation pathways of three different types of fentanyl-related compounds were then systematically investigated to enhance compound identification. Additionally, a non-targeted screening strategy was developed using warning ions derived from 24 fentanyl-related compounds, streamlining the identification of NPS. This strategy was applied to 100 food samples with possible illegal additives and demonstrated its effectiveness. In summary, this study provides robust technical support for regulatory authorities in combating the illegal addition of food products.

18 Apr 2025·ACS Chemical Biology

Formation of the i-motif Structures by Human Telomeric c-Rich Sequences d(CCCTAA)n and Its Recognition by Bisbenzylisoquinoline Alkaloids

Article

Author: Lin, Zexuan ; Cui, Xiaojie ; Luo, Feixian ; Tang, Huining ; Yang, Jishun ; Tang, Yi ; Huang, Junliu ; Wang, Wenshu ; Yang, Yang

The human telomeric repeat CCCTAA has been reported to form a higher-order structure called an intercalated motif (i-motif) that plays important roles in telomere function and telomerase activity regulation, and small molecule ligands targeting human telomeric i-motif (hTelo-iM) is a promising therapeutic strategy for cancer treatment, yet the i-motif folding pattern of long CCCTAA repeats and the hTelo-iM ligand screening have not been studied extensively. In this study, we systematically investigated the i-motif structures formed by four and eight telomeric C-rich repeats d(CCCTAA)₄ (hTeloC-24mer) and d(CCCTAA)₈ (hTeloC-48mer) under varied conditions and found that the long hTeloC-48mer probably forms unstacked tandem i-motif consisting of two hTeloC-24mer i-motif monomers under near physiological conditions. Moreover, natural bisbenzylisoquinoline (BBI) alkaloids, isofangchinoline, fangchinoline, cepharanthine, and tetrandrine, were screened from 33 natural small molecules to effectively disrupt and destabilize the hTelo-iM structures mainly through major groove hydrogen bonding and van der Waals interactions. Further, telomerase repeated amplification protocol (TRAP) assay suggested that the selected BBI alkaloids can inhibit the telomere extension by telomerase. These findings provide a theoretical basis for further telomere structure research as well as a novel class of natural small molecule compounds regulating the hTelo-iM structure and telomerase activity, which may contribute to the anticancer drug design and strategy development taking the hTelo-iM as a target.

100 Deals associated with Rotundine

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External Link

KEGG	Wiki	ATC	Drug Bank
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R&D Status

Approved

10 top approved records.

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Indication	Country/Location	Organization	Date
Pain	China	-	-

Developing

10 top R&D records.

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Indication	Highest Phase	Country/Location	Organization	Date
Headache	Phase 1	China	Beijing Sihuan Pharmaceutical Technology Co. Ltd.	07 Mar 2017
Headache	Phase 1	China	Academy of Military Med Sci, Inst of Toxicology & Pharmacology	07 Mar 2017