Azetidinyl-Acetamide CXCR7 Inhibitors for Specific Receptor Binding

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Solution Overview

Problem

Current treatments for diseases related to CXCR7 activity, such as cancer, inflammatory diseases, and HIV infectivity, lack effective compounds that can specifically bind to the CXCR7 receptor to modulate its activity.

Innovation Solution

Development of novel azetidinyl-acetamides that can bind to the CXCR7 receptor, providing pharmaceutical compositions for treatment and diagnostic imaging, and potentially combined with chemotherapeutic agents or radiation.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If existing CXCR7 treatments are used, then some therapeutic effect is achieved, but the compounds lack specific binding capability to CXCR7 receptor

Engineering Contradiction:

Improvespecific binding capabilityVSAvoidtherapeutic effectiveness

Core Design Contradiction:

ReliabilityVSProductivity

Solution Approach 1:

The patent modifies chemical parameters of the compound structure by incorporating specific heterocyclic rings (imidazole, pyrimidine, triazine) with defined substituents at precise positions, transforming generic CXCR7 modulators into specific binders with optimized affinity and selectivity parameters

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The invention creates composite molecular structures combining multiple functional moieties (azetidinyl core with acetamide side chains fused to heterocyclic systems) that work synergistically to achieve both specific binding and therapeutic efficacy simultaneously

Inventive Principle:

Principle #40Composite materials

2Object-affected harmful factors

If CXCR7 antagonists are administered to inhibit tumor growth, then anti-cancer activity is achieved, but the compounds cause unwanted side effects on normal cells

Engineering Contradiction:

Improvetumor growthVSAvoidside effects on normal cells

Core Design Contradiction:

Object-affected harmful factorsVSObject-generated harmful factors

Solution Approach 1:

The patent introduces tissue-specific targeting through heterocyclic moieties that preferentially interact with CXCR7 in tumor microenvironments, creating localized therapeutic action that spares normal tissues while maintaining potent anti-tumor activity

Inventive Principle:

Principle #3Local quality

Solution Approach 2:

The compounds act as intermediary agents that block the harmful interaction between SDF-1/CXCL12 ligands and CXCR7 receptors on tumor cells, preventing malignant effects without directly toxicizing normal cells through selective receptor occupancy

Inventive Principle:

Principle #24Intermediary (Mediator)

3Reliability

If CXCR7 inhibitors are developed, then therapeutic efficacy is improved, but the compound structure becomes complex

Engineering Contradiction:

ImproveCXCR7 inhibition efficacyVSAvoidcompound structure

Core Design Contradiction:

ReliabilityVSDevice complexity

Solution Approach 1:

The patent divides the complex CXCR7 binder into modular segments: a core azetidinyl-acetamide scaffold with detachable heterocyclic substituents, allowing independent optimization of binding pharmacophore and pharmacokinetic properties through systematic variation of discrete units

Inventive Principle:

Principle #1Segmentation

Data Source

PatentUS12448373B2Azetidinyl-acetamides as CXCR7 inhibitors

Publication Date: 2025.10.21 CHEMOCENTRYX INC

AI summary

Compounds having formula I,or pharmaceutically acceptable salts, hydrates or N-oxides thereof are provided and are useful for binding to CXCR7, and treating diseases that are dependent, at least in part, on CXCR7 activity. Accordingly, the present invention provides in further aspects, compositions containing one or more of the above-noted compounds in admixture with a pharmaceutically acceptable excipient.