In Vitro ADME Analysis 

In Vitro ADME Analysis 

Designed to support drug discovery and drug metabolism and pharmacokinetics (DMPK) laboratories, Waters ADME (Absorption, Distribution, Metabolism, and Excretion) UPLC-MS/MS Solutions simplify the process of compound method optimization, data acquisition, and results generation, enabling scientists to accelerate drug discovery support.

Designed to support drug discovery and drug metabolism and pharmacokinetics (DMPK) laboratories, Waters ADME (Absorption, Distribution, Metabolism, and Excretion) UPLC-MS/MS Solutions simplify the process of compound method optimization, data acquisition, and results generation, enabling scientists to accelerate drug discovery support.


Pipette depositing samples in a well panel

Pipette depositing samples in a well panel

Overview

Advancements in chemical library synthesis, fractional drug design, and AI modeling have resulted in a greater number and variety of compounds requiring evaluation in drug discovery, but selecting the best compounds to take forward requires rapid determination of their physical chemistry and in vitro DMPK properties. Automated mass spectrometry (MS) method generation and high-throughput LC-MS analysis are critical to successfully supporting these studies. 

With Waters In Vitro ADME Solutions, including ACQUITY Premier System with optional Open Architecture CTC PaL autosampler configuration,  Xevo TQ-S micro Tandem Quad Mass Spectrometer, and MassLynx QuanOptimize Software, your lab can automate MS method development through to data analysis and reporting, in order to optimize discovery ADME productivity.


Applications

Supporting compound evaluation in drug discovery requires the rapid generation of LC-MS/MS methods and sample analysis. Discover how Waters LC-MS/MS solutions have been optimized to efficiently and robustly support the in vitro screening challenge and incorporate acquisition modes to help gain early insight into metabolic soft spots and toxic metabolite formation.

Supporting compound evaluation in drug discovery requires the rapid generation of LC-MS/MS methods and sample analysis. Discover how Waters LC-MS/MS solutions have been optimized to efficiently and robustly support the in vitro screening challenge and incorporate acquisition modes to help gain early insight into metabolic soft spots and toxic metabolite formation.


Application Notes

Application Notes
Test tubes and pipette


Video: Customer Challenges & Waters Products: Cyprotex's Experience

Discover how Waters TQ-S micro helps Cyprotex in high-throughput drug testing. Hear from Hollie Adey from Cyprotex and Mark Roberts from Waters about seamless integration, superior support, and high-quality results achieved through our partnership.

Discover how Waters TQ-S micro helps Cyprotex in high-throughput drug testing. Hear from Hollie Adey from Cyprotex and Mark Roberts from Waters about seamless integration, superior support, and high-quality results achieved through our partnership.


Waters partners with a variety of instrument vendors for the versatility you need for your business.

Solutions


Waters high-throughput UPLC-MS/MS systems provide automated high-throughput analysis to support drug discovery.

Waters high-throughput UPLC-MS/MS systems provide automated high-throughput analysis to support drug discovery.

Defining compact performance - robust sensitivity beyond expectation

Defining compact performance - robust sensitivity beyond expectation

Designed with your quantitative analysis and sample throughput in mind, explore how the Xevo TQ-S micro can bring robust sensitivity to your laboratory with dependable, high-quality analytical data, injection after injection.

  • High-Throughput ADME

Maximizing throughput and ease of use for Discovery DMPK 

Maximizing throughput and ease of use for Discovery DMPK 

Maximize the sensitivity, repeatability, and robustness of your LC and LC-MS applications, better detect metal-sensitive analytes, and minimize the risk of undetected analytes with ACQUITY Premier System with optional autosampler PAL3 RSI from CTC open architecture.

  • High-Throughput ADME


The data speaks for itself

The data speaks for itself
Comparison of method development times for QuanOptimize vs infusion-based approach Comparison of method development times for QuanOptimize vs infusion-based approach.
Rapid separation of six CYP450 probe substrate major metabolites Rapid separation of six CYP450 probe substrate major metabolites.
The fully automated QuanOptimize workflow The fully automated QuanOptimize workflow.
MS and MS/MS spectra obtained from the positive ion ESI LC-MS/MS analysis of rat urine D6 150 mg/kg using Survey Scan acquisition of precursors of m/z=96.88 MS and MS/MS spectra obtained from the positive ion ESI LC-MS/MS analysis of rat urine D6 150 mg/kg using Survey Scan acquisition of precursors of m/z=96.88.

Webinars and Resources


  • Application Notebook

Versatile LC-MS/MS Solutions for the Evolving Bioanalysis Landscape

Versatile LC-MS/MS Solutions for the Evolving Bioanalysis Landscape
  • Case Study

Advances in High-Throughput ADME-Tox Screening for Drug Discovery

Advances in High-Throughput ADME-Tox Screening for Drug Discovery
  • Journal Citations

Addressing the Analytical Throughput Challenges in ADME Screening

Addressing the Analytical Throughput Challenges in ADME Screening
  • Journal Citations

A Rapid UPLC/TQMS Methodology for the In Vitro Analysis of Pooled and Cocktail Cytochrome P450 Assays

A Rapid UPLC/TQMS Methodology for the In Vitro Analysis of Pooled and Cocktail Cytochrome P450 Assays

Related

Agilely support the progression of drug candidates throughout the drug development pipeline with Waters versatile quantitative bioanalysis solutions.

Learn more about In Vitro ADME Analysis Solutions.

Learn more about In Vitro ADME Analysis Solutions.


Pipette depositing samples in a well panel