Tris Salt Form of 8-Chloro-3-Pentylpurine for Stability

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Solution Overview

Problem

The existing 8-chloro-3-pentyl-3,7-dihydro-1H-purine-2,6-dione free acid form is prone to hydration during aqueous processing steps, leading to instability and reduced solubility, which affects its therapeutic efficacy and manufacturing reliability.

Innovation Solution

The development of a tris salt form of 8-chloro-3-pentyl-3,7-dihydro-1H-purine-2,6-dione, specifically the tris hydroxymethylaminomethane salt, which exhibits enhanced physical stability and increased solubility, characterized by specific XRPD patterns, melting points, and ATR-IR spectra, and is used in crystalline anhydrate form.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Stability of the object's composition

If the free acid form of 8-chloro-3-pentyl-3,7-dihydro-1H-purine-2,6-dione is used, then the compound can be manufactured, but it readily converts to a hydrated form during aqueous processing steps, leading to reduced physical stability

Engineering Contradiction:
Improvephysical stabilityVSAvoidmanufacturing reliability
Core Design Contradiction:
Stability of the object's compositionVSReliability

Solution Approach 1:

The patent applies parameter changes by converting the free acid form to a tris salt form, which fundamentally alters the chemical parameters of the compound. This transformation changes the molecular structure from the free acid to a salt form that is resistant to hydration, thereby resolving the technical contradiction between physical stability and manufacturing reliability

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates a composite material system by forming a salt between 8-chloro-3-pentyl-3,7-dihydro-1H-purine-2,6-dione and tris(hydroxymethyl)aminomethane. This composite tris salt form combines the active pharmaceutical ingredient with a counterion to create a stable crystalline material that maintains its composition during aqueous processing

Inventive Principle:
Principle #40Composite materials

2Productivity

If the free acid form is used, then the compound structure is simple, but the solubility is lower and absorption is slower

Engineering Contradiction:
Improveabsorption rateVSAvoidsolubility
Core Design Contradiction:
ProductivityVSQuantity of substance

Solution Approach 1:

The patent changes the physical and chemical parameters of the compound by converting it to a salt form. This parameter change increases the solubility in aqueous media and accelerates the dissolution rate, which directly improves the absorption rate and bioavailability of the active ingredient

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The tris(hydroxymethyl)aminomethane acts as an intermediary substance that forms a salt with the active ingredient. This intermediary compound facilitates improved solubility and absorption characteristics while maintaining the therapeutic activity of the original molecule

Inventive Principle:
Principle #24Intermediary (Mediator)

Data Source

PatentEP2370440B18-Chloro-3-pentyl-3,7-dihydro-1H-purine-2,6-dione 2-amino-2-(hydroxymethyl)-1,3-propanediol anhydrate for the treatment of diseases
Publication Date: 2014.11.12 GLAXO SMITHKLINE LLC
  • EP2370440B1 patent drawingFigure 1
  • EP2370440B1 patent drawingFigure 2
  • EP2370440B1 patent drawingFigure 3

AI summary

The present invention relates to a tris salt of 8-chloro-3-pentyl-3,7-dihydro-1 H-purine- 2,6-dione of Formula (A): corresponding manufacture processes, pharmaceutical formulations containing and uses of the aforementioned compound in therapy, particularly in treatment of diseases where under-activation of the HM74A receptor contributes to the disease or where activation of the receptor will be beneficial.