FTY720 Hydrochloride Hydrate Crystalline Forms

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Solution Overview

Problem

The existing forms of FTY720 hydrochloride exhibit polymorphism, leading to instability and varying solubility, which affects its therapeutic efficacy and storage stability, particularly in the free base form.

Innovation Solution

The development of novel crystalline forms, including a hydrate form of FTY720 hydrochloride, characterized by specific X-ray powder diffraction patterns, which are more stable and have improved solubility, along with a process for converting between these forms by controlling temperature, and the formulation of pharmaceutical compositions with sugar alcohols for enhanced stability and uniform distribution.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Stability of the object's composition

If the free base form of FTY720 is used, then the compound can be obtained in its basic structure, but it exhibits polymorphism leading to instability and varying solubility

Engineering Contradiction:
Improvestorage stabilityVSAvoidtherapeutic efficacy consistency
Core Design Contradiction:
Stability of the object's compositionVSReliability

Solution Approach 1:

The patent transforms the free base form into a hydrochloride salt form, changing the chemical parameter (protonation state) to eliminate polymorphism. This parameter change stabilizes the compound while maintaining therapeutic efficacy, as the hydrochloride salt exhibits consistent solubility and stability without the polymorphic transitions that plague the free base form.

Inventive Principle:
Principle #35Parameter changes

2Quantity of substance

If conventional crystalline forms are used, then the compound can be stored, but solubility varies affecting therapeutic efficacy

Engineering Contradiction:
ImprovesolubilityVSAvoidtherapeutic efficacy
Core Design Contradiction:
Quantity of substanceVSReliability

Solution Approach 1:

By converting to the hydrochloride salt form, the patent fundamentally changes the solubility parameter. The ionic character of the hydrochloride salt dramatically improves aqueous solubility compared to the free base form, ensuring consistent bioavailability and therapeutic efficacy without the variability associated with different polymorphic forms.

Inventive Principle:
Principle #35Parameter changes

3Stability of the object's composition

If temperature control is implemented to convert between forms, then stability can be improved, but the process complexity increases

Engineering Contradiction:
Improvecrystalline stabilityVSAvoidprocess complexity
Core Design Contradiction:
Stability of the object's compositionVSDevice complexity

Solution Approach 1:

The patent extracts the problematic polymorphic behavior by removing the free base form and replacing it with the hydrochloride salt form. This extraction eliminates the need for complex temperature control processes to manage polymorphic transitions, as the hydrochloride salt maintains stable crystalline form across the relevant temperature and humidity ranges.

Inventive Principle:
Principle #2Taking out (Extraction)

Solution Approach 2:

The patent applies beforehand cushioning by pre-converting the compound to the hydrochloride salt form, which inherently resists environmental variations. This prior transformation cushions against future stability issues that would arise from temperature and humidity fluctuations, eliminating the need for complex process controls.

Inventive Principle:
Principle #11Beforehand cushioning (Prior cushioning)

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 hydrate form of FTY720 hydrochloride demonstrates improved stability, solubility, and uniform distribution, leading to enhanced therapeutic efficacy and prolonged shelf life, making it suitable for treating autoimmune conditions and transplant rejection.

Implementation Method 1

FTY720 hydrochloride exhibits polymorphism. As the Examples given herein illustrate, FTY720 hydrochloride exists in a particular crystalline form (hereinafter Form I) at room temperature. Crystalline Form I undergoes a change to an alternative crystalline form (Form II) at a transition temperature of approximately 40 °C. Moreover, crystalline Form II undergoes a transition to a third crystalline form (Form III) at a temperature of approximately 66 °C.

Methodology Applied
Scientific EffectPolymorphism: Phase Change

Implementation Method 2

At a temperature of approximately 107 °C, FTY720 hydrochloride forms a phase with lower crystalline order. Accordingly, the present disclosure provides novel crystalline forms of FTY720 hydrochloride, including solvates, especially hydrates, thereof

Methodology Applied
Scientific EffectCrystallization: Crystallisation

Data Source

PatentEP2356090B1Crystalline forms of fingolimod hcl
Publication Date: 2017.07.05 NOVARTIS AG
  • EP2356090B1 patent drawingFigure 1
  • EP2356090B1 patent drawingFigure 2
  • EP2356090B1 patent drawingFigure 3

AI summary

The present invention relates to crystalline forms and hydrates of 2-Amino-2-[2-(4-C2-20-alkyl-phenyl)ethyl]propane-1,3-diol, and to the use thereof, in particular in the treatment or prevention of various autoimmune conditions.