Xanomeline Impurity 7(Hydrochloride)
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E-mail: anna@molcoo.com
Product Number: X002007A
English Name: Xanomeline Impurity 7(Hydrochloride)
English Alias: 3-(hexyloxy)-4-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole hydrochloride
CAS Number: None
Molecular Formula: C₁₃H₂₁N₃OS·HCl
Molecular Weight: 267.39 (free base); 36.46 (hydrochloride moiety)
As Impurity 7 of Xanomeline (in hydrochloride form), this compound has the following advantages:
Well-defined with distinct polyfunctional features: Contains 1,2,5-thiadiazole ring (3-hexyloxy, 4-tetrahydropyridinyl substituted) and hydrochloride structure. Unlike xanomeline (muscarinic agonist with N-methyltetrahydropyridine), its hydrochloride ionic bonding, thiadiazole sulfur, and hexyloxy hydrophobicity create significant differences, enabling precise differentiation via HPLC/ion-exchange chromatography as a specific marker;
High stability and water solubility: Rigid thiadiazole/tetrahydropyridine structures and hydrochloride salt properties ensure high stability under acidic conditions, with superior water solubility over free base, facilitating dissolution in aqueous systems for accurate analysis;
High detection sensitivity: Thiadiazole-tetrahydropyridine conjugation shows strong UV absorption (240-270nm), combined with m/z 268 [M+H]⁺ (free base) enabling ppb-level analysis via LC-MS, compatible with muscarinic agonist amine impurity systems.
Pharmaceutical quality control: Used as an impurity reference standard to quantify Xanomeline Impurity 7(Hydrochloride) in APIs, ensuring residual demethylated impurities meet quality standards;
Synthesis optimization: Optimizing tetrahydropyridine N-methylation conditions (reagent dosage) by monitoring impurity levels to enhance N-methylation specificity and reduce unmethylated byproducts;
Intermediate purity assessment: Evaluating purity of tetrahydropyridine-containing intermediates in xanomeline synthesis to support subsequent salification or modification steps.
Xanomeline contains 1,2,5-thiadiazole and N-methyltetrahydropyridine rings, synthesized via tetrahydropyridine methylation. Incomplete methylation (e.g., insufficient methylating agent) may generate unmethylated tetrahydropyridinyl derivatives like Xanomeline Impurity 7, whose hydrochloride form is widely used as a reference due to stability and solubility advantages. Sharing core heterocycles, it may affect receptor binding, making its control critical for xanomeline efficacy and safety.
Current research focuses on:
Analytical method validation: Developing HPLC assays with C18 columns for separation, achieving 0.1 ppb detection limits;
Methylation kinetics: Studying impurity formation under varying methylating agent concentrations to clarify tetrahydropyridine N-methylation pathways;
Control strategies: Optimizing methylation parameters (excess reagent) to keep impurity levels below 0.1% and enhance API purity;
Structural confirmation: Using ¹H/¹³C-NMR and chloride ion-selective electrode to verify hydrochloride structure, distinguishing from xanomeline for authoritative identification.
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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