Sulindac Impurity 11；134439-52-4
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E-mail: anna@molcoo.com
Product Number: S037011
English Name: Sulindac Impurity 11
English Alias: (Z)-methyl 2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetate
CAS Number: 134439-52-4
Molecular Formula: C₂₁H₁₉FO₃S
Molecular Weight: 370.44
As an impurity of Sulindac, this compound has the following advantages:
Well-defined with distinct stereochemical features: Contains an indene core, (Z)-benzylidene double bond, 5-fluoro substitution, methylsulfinyl (-S(O)-CH₃), and methyl acetate side chain. Unlike sulindac (a carboxylic acid), its ester group and (Z)-configuration enable clear differentiation via reversed-phase HPLC/LC-MS as a specific impurity marker;
High stability and traceability: Rigid indene structure and sulfinyl stability ensure stability under neutral conditions. As an intermediate from incomplete ester hydrolysis in sulindac synthesis, it directly reflects ester hydrolysis efficiency, improving process tracing accuracy;
High detection sensitivity: UV absorption (280-300nm) from (Z)-alkene-benzene-indene conjugation, combined with characteristic mass response (m/z 371 [M+H]⁺), enables trace analysis (ppb level) via LC-MS, compatible with indene-based NSAID ester impurity systems.
Pharmaceutical quality control: Used as an impurity reference standard to quantify Sulindac Impurity 11 in APIs, ensuring residual ester intermediates meet quality standards post-ester hydrolysis/indene synthesis;
Synthesis optimization: Optimizing ester hydrolysis (base concentration) by monitoring impurity levels to enhance carboxylic acid formation efficiency;
Intermediate purity assessment: Evaluating purity of key (Z)-ester intermediates in sulindac synthesis to support specificity of downstream hydrolysis/oxidation.
Sulindac, a nonsteroidal anti-inflammatory drug (NSAID), requires indene construction, stereoselective double bond formation, and ester hydrolysis for synthesis. Incomplete ester hydrolysis may generate unhydrolyzed methyl acetate derivatives like Sulindac Impurity 11. With lower pharmacological activity due to unhydrolyzed ester, its residue risks reducing sulindac purity, making control critical for quality assurance.
Current research focuses on:
Analytical method validation: Developing UPLC-DAD assays with C18 columns for baseline separation, achieving 0.1 ppb detection limits;
Hydrolysis kinetics: Studying impurity formation under varying base concentrations to clarify ester-to-carboxylic acid conversion mechanisms;
Process refinement: Controlling impurity levels below 0.05% via optimized hydrolysis pH to enhance API purity;
Structural confirmation: Using 2D-NMR to verify (Z)-configuration and sulfinyl position, distinguishing from sulindac for authoritative impurity 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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