Beta-lapachone Solubility via Bisulfite Conversion

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Solution Overview

Problem

The low solubility of many quinone compounds, including β-lapachone, in pharmaceutically acceptable solvents poses a challenge for their effective pharmaceutical formulations, leading to drawbacks in pharmacokinetic profiles and bioavailability.

Innovation Solution

The development of a pharmaceutical composition comprising β-lapachone in the form of crystalline particles with a bisulfite agent, such as sodium metabisulfite, to enhance solubility and bioavailability, where the bisulfite agent converts β-lapachone into a more soluble hydroxy sulfonate form, which can revert back to β-lapachone under certain conditions.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If quinone compounds like β-lapachone are used as anti-cancer drugs, then therapeutic efficacy is improved, but solubility in pharmaceutically acceptable solvents deteriorates

Engineering Contradiction:
Improvetherapeutic efficacyVSAvoidsolubility
Core Design Contradiction:
ReliabilityVSQuantity of substance

Solution Approach 1:

The patent introduces a bisulfite agent as an intermediary substance that forms a soluble complex with β-lapachone. This intermediary complex enables the quinone compound to be dissolved in aqueous pharmaceutical formulations, resolving the solubility issue while maintaining therapeutic activity. The bisulfite agent acts as a mediator that bridges the hydrophobic quinone and the hydrophilic pharmaceutical formulation.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The patent changes the chemical state of β-lapachone by converting it to a hydroxy sulfonate derivative through reaction with bisulfite agents. This parameter change in chemical structure transforms the compound from an insoluble quinone form to a soluble sulfonate form, enabling effective pharmaceutical formulation while preserving biological activity.

Inventive Principle:
Principle #35Parameter changes

2Reliability

If quinone compounds are used as anti-cancer drugs, then therapeutic efficacy is improved, but bioavailability deteriorates

Engineering Contradiction:
Improvetherapeutic efficacyVSAvoidbioavailability
Core Design Contradiction:
ReliabilityVSProductivity

Solution Approach 1:

The bisulfite agent serves as a bioavailability enhancer that facilitates the absorption and distribution of β-lapachone in the body. By forming a soluble complex, the intermediary agent ensures the compound reaches target cancer cells effectively, improving bioavailability without compromising therapeutic efficacy.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The conversion of β-lapachone to its hydroxy sulfonate form changes key pharmacokinetic parameters, including solubility, absorption rate, and plasma half-life. This parameter transformation enables better bioavailability by allowing the compound to be properly absorbed and circulated in the body.

Inventive Principle:
Principle #35Parameter changes

3Ease of manufacture

If traditional formulations of quinone compounds are used, then manufacturing simplicity is maintained, but pharmacokinetic profiles deteriorate

Engineering Contradiction:
Improveformulation simplicityVSAvoidplasma half-life
Core Design Contradiction:
Ease of manufactureVSDuration of action of moving object

Solution Approach 1:

The bisulfite agent acts as a formulation additive that modifies the pharmacokinetic profile of β-lapachone. By incorporating this intermediary substance into the formulation, the patent extends plasma half-life and improves pharmacokinetic parameters while maintaining relatively simple manufacturing processes.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The formation of the hydroxy sulfonate derivative changes critical pharmacokinetic parameters including plasma half-life, clearance rate, and distribution volume. This parameter change results in improved duration of action and better overall pharmacokinetic profile.

Inventive Principle:
Principle #35Parameter changes

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 approach significantly improves the solubility, stability, and bioavailability of β-lapachone, leading to enhanced therapeutic efficacy and improved plasma half-life, addressing the limitations of traditional formulations.

Implementation Method 1

the bisulfite agent converts β-lapachone into a more soluble hydroxy sulfonate form

Methodology Applied
Scientific EffectChemical reaction (bisulfite addition): Chemical Bonding

Implementation Method 2

which can revert back to β-lapachone under certain conditions

Methodology Applied
Scientific EffectChemical reversal reaction: Chemical Bonding

Data Source

PatentEP2152686B1Hydroxy sulfonate of quinone compounds and their uses
Publication Date: 2014.12.17 ARQULE INC
  • EP2152686B1 patent drawingFigure 1A~1B
  • EP2152686B1 patent drawingFigure 1C
  • EP2152686B1 patent drawingFigure 2A~2B

AI summary

The present invention provides sodium 6-hydroxy-2,2-dimethyl-5-oxo-3,4,5,6-tetrahydro-2H- benzo(h)chromene-6-sulfonate, and its synthesis and uses in the treatment of cancer.