Brexpiprazole Impurity 116 NEW

Brexpiprazole Impurity 116

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• Product Information

• Product Number: B007116

• English Name: Brexpiprazole Impurity 116

• English Alias: 1-(benzo[b]thiophen-4-yl)piperazine

• CAS Number: 846038-18-4

• Molecular Formula: C₁₂H₁₄N₂S

• Molecular Weight: 218.32

• Advantages

• As an impurity of Brexpiprazole, this compound has the following advantages:
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• Well-defined with distinct functional groups: Contains benzo[b]thiophene and piperazine rings. Unlike brexpiprazole (antipsychotic with piperazine-linked indolinone), its thiophene aromaticity and piperazine basicity create unique properties, enabling precise differentiation via HPLC/GC as a specific marker;

• High stability and traceability: Rigid benzothiophene/piperazine structures and sulfur stability ensure neutral-to-weakly-alkaline stability. As a byproduct from incomplete piperazine-benzothiophene coupling, it directly reflects cyclization efficiency, improving process tracing accuracy;

• High detection sensitivity: Benzothiophene conjugation shows strong UV absorption (230-260nm), combined with m/z 219 [M+H]⁺ enabling ppb-level analysis via LC-MS/GC-MS, compatible with antipsychotic heterocyclic impurity systems.

• Applications

• Pharmaceutical quality control: Used as an impurity reference standard to quantify Brexpiprazole Impurity 116 in APIs, ensuring residual coupling byproducts meet quality standards;

• Synthesis optimization: Optimizing cyclization conditions (catalyst dosage) by monitoring impurity levels to reduce unreacted intermediates;

• Intermediate purity assessment: Evaluating purity of key benzothiophene-piperazine intermediates in brexpiprazole synthesis to support indolinone coupling.

• Background Description

• Brexpiprazole’s structure relies on a piperazine-linked benzothiophene-indolinone core, synthesized via piperazine-benzothiophene coupling. Incomplete coupling may generate benzothiophene-piperazine derivatives like Brexpiprazole Impurity 116. With shared ring systems affecting receptor binding, its residues risk reducing purity, making control critical for quality assurance.

• Research Status

• Current research focuses on:
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• Analytical method validation: Developing HPLC assays with C18 columns for separation, achieving 0.1 ppb detection limits;

• Coupling kinetics: Studying impurity formation under varying halide concentrations to clarify cyclization-impurity correlation;

• Process refinement: Controlling impurity levels below 0.1% via solvent/catalyst optimization to enhance API purity;

• Structural confirmation: Using ¹H/¹³C-NMR to verify benzothiophene-piperazine linkage, distinguishing from brexpiprazole 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!

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