Boronate Ester Compounds for Stable Proteasome Inhibition

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Solution Overview

Problem

Boronic acid compounds are difficult to obtain in analytically pure form due to their tendency to form cyclic trimeric anhydrides under dehydrating conditions and are air-sensitive, limiting their pharmaceutical utility and shelf-life.

Innovation Solution

Development of novel boronate ester compounds and stable pharmaceutical compositions that inhibit proteasome activity, specifically within the general formula (A), which includes compounds characterized by formula (II), suitable for various dosage forms and processes to produce them.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If boronic acid compounds are used as proteasome inhibitors, then proteasome inhibition activity is achieved, but stability and shelf-life are reduced due to air-sensitivity and tendency to form cyclic trimeric anhydrides

Engineering Contradiction:
Improveproteasome inhibition activityVSAvoidchemical stability
Core Design Contradiction:
ReliabilityVSStability of the object's composition

Solution Approach 1:

The patent transforms the chemical structure by converting the boronic acid group into a boronate ester group, changing the chemical parameters of the molecule. This structural modification maintains the proteasome inhibition activity while fundamentally improving chemical stability by eliminating the tendency to form cyclic trimeric anhydrides and reducing air-sensitivity.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent introduces a diol moiety as an intermediary component that forms a stable ester linkage with the boronic acid group. This intermediary structure (the boronate ester) acts as a stable form that can be administered pharmaceutically, while still releasing or functioning as the active boronic acid at the target site.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Reliability

If boronic acid compounds are used for proteasome inhibition, then therapeutic effect is achieved, but ease of manufacture and pharmaceutical utility are limited due to difficulty in obtaining analytically pure form

Engineering Contradiction:
Improvetherapeutic effectVSAvoidmanufacturability
Core Design Contradiction:
ReliabilityVSEase of manufacture

Solution Approach 1:

The patent modifies the chemical parameters by converting boronic acid to boronate ester, which fundamentally changes the purification characteristics. The boronate ester form is more stable during purification processes and does not undergo the same condensation reactions, making it significantly easier to obtain in analytically pure form for pharmaceutical manufacturing.

Inventive Principle:
Principle #35Parameter changes

3Duration of action of stationary object

If stable pharmaceutical compositions are developed, then shelf-life is improved, but device complexity or formulation complexity increases

Engineering Contradiction:
Improveshelf-lifeVSAvoidformulation complexity
Core Design Contradiction:
Duration of action of stationary objectVSDevice complexity

Solution Approach 1:

The patent changes the fundamental chemical parameter from boronic acid to boronate ester, which inherently provides stability without requiring complex formulation strategies. The molecular structure itself becomes the stabilizing factor, reducing the need for complex excipients, packaging, or storage conditions that would otherwise be necessary.

Inventive Principle:
Principle #35Parameter changes

Data Source

PatentEP2318419B2Boronate ester compounds and pharmaceutical compositions thereof
Publication Date: 2024.10.30 TAKEDA PHARMA CO LTD
  • EP2318419B2 patent drawingFigure 1
  • EP2318419B2 patent drawingFigure 2
  • EP2318419B2 patent drawingFigure 3

AI summary

The present invention provides novel compounds useful as proteasome inhibitors. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.