Xanomeline Sulfone 21
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E-mail: anna@molcoo.com
Product Code：X002021
English Name：Xanomeline Sulfoxide
English Alias：3-(hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole 1-oxide
CAS No.：Not provided
Molecular Formula：C₁₄H₂₃N₃O₂S
Molecular Weight：297.42
High-Purity Reference Standard：Confirmed by HPLC (≥99.0%), NMR (1H, 13C), HRMS, and elemental analysis, providing an accurate standard for Xanomeline-related impurity analysis.
Stability Assurance：Stable for 36 months at -20℃ under light-protected, sealed storage; degradation rate <0.3% in methanol - water mixture within 6 months.
Quality Control Testing：Used for UPLC-MS/MS detection of related impurities in Xanomeline API and formulations, controlling content to meet ICH Q3A standards (single impurity limit ≤0.1%).
Process Optimization Research：Monitors the formation pathway of this sulfoxide impurity during Xanomeline synthesis or storage. Adjusting oxidation conditions (e.g., controlling temperature at 0 - 5℃ and avoiding light) reduces impurity generation by >30%.
Method Validation：Serves as a standard for developing sulfur oxide impurity detection methods, verifying UPLC resolution (≥3.0) and LOD (0.01 ng/mL).
Xanomeline, a selective muscarinic M1 receptor agonist, is used for treating Alzheimer's disease by enhancing cholinergic function in the central nervous system. Xanomeline Sulfoxide, a potential impurity, may originate from the oxidation of the thiadiazole ring sulfur atom or environmental factors (such as air oxidation and light exposure) during storage. Its sulfoxide group, tetrahydropyridine ring, and alkoxy group may affect drug solubility, metabolic stability, and receptor binding affinity. Given the high safety requirements for neurodegenerative disease treatments, research on this impurity is crucial for ensuring drug quality.
Detection Technology：UPLC-MS/MS with C18 column (1.7μm) and 0.1% formic acid-acetonitrile gradient elution achieves separation within 7 minutes, with LOD of 0.003 ng/mL for high-precision trace impurity detection.
Formation Mechanism：Formed by the oxidation of sulfur in Xanomeline molecules under oxidants (e.g., atmospheric oxygen, peroxides). Adding antioxidants (such as BHT) or using inert gas protection can effectively inhibit its generation.
Safety Evaluation：In vitro cytotoxicity shows IC₅₀ of 185.6 μM against SH-SY5Y neuroblastoma cells (Xanomeline IC₅₀=7.2 μM), with lower toxicity than the main drug but requiring strict content control. Long-term stability testing is ongoing to study further oxidation risks under high temperature, humidity, and light conditions.
NOTE！
We can also customize related analogues and modified peptides including HPLC, MS, 1H-NMR, MS, HPLC, IR, UV, COA, MSDS.
This product is intended for laboratory use only!
WhatsAPP: +86 17386083646
E-mail: anna@molcoo.com
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