Hetero Type Monodispersed PEG Synthesis via Segmentation

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

Current methods for producing hetero type monodispersed polyethylene glycol suffer from impurities such as compounds with different ethylene glycol chain lengths and terminal functional groups, leading to difficulties in ADC production, requiring excessive antibodies and drugs, and causing side effects due to incorrect conjugation and identification issues.

Innovation Solution

A method involving specific synthesis steps, including Michael addition reactions, phthalimide formation, dephthalimidation, and separatory extraction, to produce hetero type monodispersed polyethylene glycol with high purity, containing amino and carboxyl groups at both terminals and consistent ethylene glycol chain lengths, without the need for column chromatography.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If conventional methods are used to produce hetero type monodispersed polyethylene glycol, then production cost and time are reduced, but impurities such as compounds with different ethylene glycol chain lengths and terminal functional groups are generated

Engineering Contradiction:
Improvepurity of hetero type monodispersed polyethylene glycolVSAvoidcomplexity of production process
Core Design Contradiction:
Manufacturing precisionVSDevice complexity

Solution Approach 1:

The production process is divided into distinct sequential steps: Michael addition reaction to introduce carboxyl groups, phthalimide formation to protect amino groups, dephthalimidation to reveal amino groups, and separatory extraction to remove impurities. Each step is optimized to minimize specific impurities, and the segmentation allows for targeted purification without requiring complex column chromatography.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

Phthalimide is used as a protecting group intermediary during synthesis. The amino groups are temporarily converted to phthalimide derivatives during the Michael addition step, then restored through dephthalimidation. This intermediary approach allows selective functionalization while preventing unwanted side reactions that would generate impurities.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Manufacturing precision

If hetero type monodispersed polyethylene glycol with high purity is produced, then ADC production accuracy is improved, but production time and cost increase

Engineering Contradiction:
Improvepurity of hetero type monodispersed polyethylene glycolVSAvoidproduction efficiency
Core Design Contradiction:
Manufacturing precisionVSProductivity

Solution Approach 1:

The Michael addition reaction is performed at low temperature (0-5°C) before other steps to ensure complete reaction and minimize side products. The carboxyl groups are introduced early in the synthesis sequence, allowing subsequent steps to focus on protecting and revealing functional groups without generating additional chain length impurities.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The synthesis conditions are optimized with specific parameter ranges: low temperature (0-5°C) for Michael addition, specific pH ranges for phthalimide formation and dephthalimidation, and controlled solvent ratios for separatory extraction. These parameter changes maximize product purity while maintaining reasonable production speed by avoiding the need for repeated purification cycles.

Inventive Principle:
Principle #35Parameter changes

3Ease of manufacture

If impurities are present in hetero type monodispersed polyethylene glycol, then production cost is reduced, but side effects and incorrect conjugation occur in ADC

Engineering Contradiction:
Improvemanufacturing simplicityVSAvoidside effects from incorrect ADC conjugation
Core Design Contradiction:
Ease of manufactureVSObject-affected harmful factors

Solution Approach 1:

Separatory extraction is employed after the dephthalimidation step to remove unreacted starting materials, by-products, and soluble impurities. The product is dissolved in an appropriate solvent and extracted with aqueous solutions to separate impurities based on solubility differences. This taking out approach effectively removes harmful impurities without requiring complex purification equipment.

Inventive Principle:
Principle #2Taking out (Extraction)

4Manufacturing precision

If column chromatography is used for purification, then purity is improved, but device complexity and cost increase

Engineering Contradiction:
Improvepurity of hetero type monodispersed polyethylene glycolVSAvoidpurification equipment complexity
Core Design Contradiction:
Manufacturing precisionVSDevice complexity

Solution Approach 1:

The method replaces expensive, complex column chromatography equipment with simple, disposable separatory funnels and basic filtration apparatus. The separatory extraction uses readily available solvents and equipment that can be easily disposed of or cleaned, eliminating the need for expensive chromatography columns and reducing overall device complexity while achieving comparable purification effectiveness.

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

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

This method enables the production of hetero type monodispersed polyethylene glycol in high purity, ensuring accurate ADC production, reducing the need for excessive reagents, and minimizing side effects by ensuring precise conjugation and identification.

Implementation Method 1

Michael addition reaction of a compound represented by formula (3) with a compound represented by formula (4)

Methodology Applied
Scientific EffectMichael addition reaction: Chemical Bonding

Implementation Method 2

phthalimide formation, dephthalimidation

Methodology Applied
Scientific EffectPhthalimide formation: Chemical Bonding

Implementation Method 3

phthalimide formation, dephthalimidation

Methodology Applied
Scientific EffectDephthalimidation: Hydrolysis

Implementation Method 4

separatory extraction, to produce hetero type monodispersed polyethylene glycol with high purity

Methodology Applied
Scientific EffectSeparatory extraction: Liquid-Liquid Extraction

Data Source

PatentEP3318591B1Hetero type monodispersed polyethylene glycol, intermediate for production of hetero type monodispersed polyethylene glycol, methods for producing same, and hetero type monodispersed polyethylene glycol conjugate
Publication Date: 2022.05.18 TOHOKU TECHNO ARCH CO LTD
  • EP3318591B1 patent drawingFigure 1~2
  • EP3318591B1 patent drawingFigure 3~5
  • EP3318591B1 patent drawingFigure 6~9

AI summary

Provided is a hetero type monodispersed polyethylene glycol which contains a compound represented by formula (1) ((1): NH2-(CH2CH2O)a-CH2CH2COOH (in formula (1), a is an integer between 6 and 40)) and in which the following each satisfy a specified relational expression: (A) a chromatogram detected by a differential refractometer when separation is carried out using reversed phase chromatography; (B) a chromatogram detected by a differential refractometer when separation is carried out using cation exchange chromatography; and (C) a chromatogram detected by a differential refractometer when the hetero type monodispersed polyethylene glycol containing a compound represented by formula (1) is derivatized and separation is carried out using anion exchange chromatography.