Fascin1 Inhibitor Composition With Simpler Synthesis for Metastatic Cancer
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Solution Overview
Problem
Current therapeutic strategies for cancer, particularly those targeting Fascin1, face challenges due to complex synthesis of compounds like Migrastatin derivatives and structural limitations of existing inhibitors such as Raltegravir and Imipramine, necessitating the development of more effective Fascin1 inhibitors for treating aggressive cancers like serrated adenocarcinoma and other cancers with high metastatic potential.
Innovation Solution
The development of Z1362873773, a novel Fascin1 inhibitor with a chemical formula of C19H18F3NO3, which effectively binds to Fascin1, inhibiting its activity and reducing cancer cell invasion and metastasis, particularly in cancers with high Fascin1 expression, such as colorectal cancer, triple-negative breast carcinoma, and non-small cell lung cancer.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If complex compounds like Migrastatin derivatives are used to inhibit Fascin1, then the inhibition effectiveness is improved, but the synthesis complexity increases
Solution Approach 1:
The patent applies segmentation by dividing the complex Migrastatin derivative structure into simpler modular components. The new compound consists of distinct functional groups (indazole core, furan ring, carboxamide linkage) that can be synthesized separately and assembled, reducing overall synthesis complexity while maintaining Fascin1 inhibition effectiveness.
Solution Approach 2:
The patent extracts the essential pharmacophoric elements required for Fascin1 inhibition from the complex Migrastatin structure. By identifying and retaining only the critical functional groups necessary for binding to Fascin1, the invention creates a simplified molecule that maintains therapeutic effectiveness while eliminating unnecessary structural complexity.
2Device complexity
If existing inhibitors like Raltegravir and Imipramine are used, then the structural simplicity is improved, but the inhibition effectiveness against aggressive cancers deteriorates
Solution Approach 1:
The patent applies local quality by introducing specific functional groups and structural features at particular positions within the molecule. The indazole-furan-carboxamide structure contains strategically placed hydrogen bond donors/acceptors, hydrophobic regions, and aromatic systems that locally enhance binding affinity to Fascin1, thereby improving effectiveness against aggressive cancers while maintaining reasonable structural simplicity.
Solution Approach 2:
The patent creates a composite molecular structure by combining multiple functional moieties (indazole ring system, furan ring, carboxamide group) into a single integrated molecule. This composite approach allows the compound to simultaneously engage multiple interaction points on Fascin1, enhancing inhibition effectiveness beyond what simpler single-structure inhibitors like Raltegravir or Imipramine can achieve.
Data Source
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AI summary
The present invention relates to a chemical compound for use in the treatment of cancer by inhibiting fascin 1. It also relates to a pharmaceutical composition comprising said inhibitor of fascin1.