Crystalline Hydroxamic Acid Antibacterial Stability

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Solution Overview

Problem

There is a pressing need for new antibacterial compounds effective against Gram-negative bacteria, particularly those resistant to multiple antibiotics, as current treatments are inadequate due to rising antimicrobial resistance, with existing hydroxamic acid compounds facing challenges in stability and scalability for commercial production.

Innovation Solution

A crystalline form of a hydroxamic acid compound (Compound A) is developed, which inhibits the activity of UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine deacetylase (LpxC), offering improved stability and hygroscopicity, making it suitable for large-scale manufacturing and use in pharmaceutical compositions to treat Gram-negative infections.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If hydroxamic acid compounds are used as antibacterial agents against Gram-negative bacteria, then antibacterial efficacy is improved, but stability and hygroscopicity deteriorate

Engineering Contradiction:
Improveantibacterial efficacyVSAvoidcompound stability
Core Design Contradiction:
ReliabilityVSStability of the object's composition

Solution Approach 1:

The patent applies parameter changes by transforming the physical state of the hydroxamic acid compound from amorphous to crystalline form. This phase transition fundamentally alters the compound's properties, enhancing stability and reducing hygroscopicity while preserving antibacterial efficacy. The crystalline structure provides a more stable molecular arrangement that resists degradation and moisture absorption.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention directly utilizes phase transitions by converting the compound from an amorphous state to a crystalline state. This phase change is the core mechanism that resolves the contradiction between maintaining antibacterial activity and improving stability. The crystalline form exhibits lower hygroscopicity and enhanced chemical stability compared to the amorphous form.

Inventive Principle:
Principle #36Phase transitions

2Productivity

If new crystalline forms are developed for commercial production, then manufacturing scalability is improved, but process complexity increases

Engineering Contradiction:
Improvemanufacturing scalabilityVSAvoidprocess complexity
Core Design Contradiction:
ProductivityVSDevice complexity

Solution Approach 1:

The patent applies preliminary action by pre-establishing optimized crystallization conditions and protocols before commercial production. The detailed characterization of the crystalline form and predetermined processing parameters enable straightforward scale-up from laboratory to manufacturing scale, reducing the complexity typically associated with developing new crystalline forms.

Inventive Principle:
Principle #10Preliminary action

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The crystalline form of Compound A provides enhanced antibacterial efficacy against drug-resistant Gram-negative bacteria, including multi-drug resistant strains, with improved handling characteristics and stability, facilitating effective commercial production and treatment options.

Implementation Method 1

Compound (A) is believed to act by inhibiting the activity of UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine deacetylase (LpxC)

Methodology Applied
Scientific EffectEnzyme inhibition: Enzyme

Data Source

PatentEP3468957B1Crystalline form of (r)-4-(5-(cyclopropylethynyl)isoxazol-3-yl)-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide as an antibacterial agent
Publication Date: 2020.08.26 NOVARTIS AG
  • EP3468957B1 patent drawingFigure 1
  • EP3468957B1 patent drawingFigure 2
  • EP3468957B1 patent drawingFigure 3

AI summary

The invention relates to a crystalline form of the (R)-4-(5- (cyclopropylethynyl)isoxazol-3-yl)-N-hydroxy-2-methyl-2- (methylsulfonyl)butanamide (i.e. the compound of formula (A)) with low hydroscopicity. The compound and compositions thereof are useful to treat bacterial infections and in particular Gram negative bacterial infections, including mult-drug resistant strains. The crystalline form is prepared by dissolving an amorphous form of the compound in a halogenated organic solvent (e.g. dichloromethane) and precipitating the crystalline form with a hydrocarbon solvent (e.g. heptane).(A)