β-Amyloid (1-40), FAM-labeled

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide integrates bicyclic aromatic and saturated ring systems suited for ligand-design studies. The cyano group introduces polarity and supports hydrogen-bond acceptor analysis. Its rigid structure aids modeling of receptor-fit and steric complementarity. Researchers explore its value in medicinal chemistry scaffolding, docking models, and synthetic diversification.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
β-Amyloid (1-40), FAM-labeled(CAS 1678416-08-4)

CAT No: R2431

CAS No:1678416-08-4

Synonyms/Alias:N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide;STL509455;AKOS000408695;FF110106;SR-01000301339;SR-01000301339-1;Z46162228;5-FAM-Amyloid b-Protein (1-40) trifluoroacetate salt;1678416-08-4;N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide;

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M.F/Formula
C20H21N3OS
M.W/Mr.
351.5

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide is a structurally unique carbohydrate compound distinguished by its fusion of benzothiophene and dihydroisoquinoline moieties. This compound's distinctive scaffold imparts a range of physicochemical properties that have attracted significant interest within the scientific community, particularly in the fields of chemical biology and synthetic chemistry. Its molecular framework allows for diverse interactions with biological targets, making it a valuable tool in exploratory research and the design of novel molecular probes. The presence of both cyano and acetamide functionalities further enhances its versatility, enabling a variety of synthetic transformations and functionalization strategies. Researchers value this compound for its potential to serve as a core structure in the development of advanced materials and biologically active molecules, reflecting its broad utility across multiple scientific domains.

Drug Discovery and Lead Optimization: In the realm of drug discovery, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide is often employed as a lead compound or molecular scaffold for the synthesis of small molecule libraries. Its rigid yet modifiable structure enables medicinal chemists to explore structure-activity relationships, guiding the optimization of binding affinity and selectivity toward specific biological targets. By leveraging its unique heterocyclic architecture, researchers can design and synthesize analogs to probe receptor interactions, enzyme inhibition, or modulation of signaling pathways, thereby accelerating the identification of promising candidates for further preclinical evaluation.

Chemical Probe Development: The compound's modular design makes it an excellent starting point for the development of chemical probes. Scientists utilize its scaffold to introduce functional groups or reporter tags, facilitating the study of protein-ligand interactions and cellular processes. This approach aids in elucidating the mechanism of action of biological targets, mapping protein networks, and validating the biological relevance of potential drug targets. Its compatibility with a range of chemical modifications allows for the creation of tailored probes suitable for diverse assay formats, including fluorescence-based, affinity-based, and activity-based profiling.

Synthetic Methodology Research: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide serves as a valuable substrate in the development and optimization of synthetic methodologies. Its complex, fused-ring system challenges synthetic chemists to devise innovative strategies for functionalization, cyclization, and cross-coupling reactions. By employing this compound in method development, researchers can assess the scope, selectivity, and efficiency of new synthetic transformations. The insights gained from these studies contribute to the advancement of organic synthesis and the expansion of chemical space accessible for future research endeavors.

Material Science and Functional Materials: The distinctive electronic and structural features of this carbohydrate compound make it a candidate for investigation in material science applications. Researchers explore its potential as a building block for the design of novel organic materials, such as molecular semiconductors, organic light-emitting diodes (OLEDs), or photovoltaic devices. Its conjugated system and heteroaromatic character may impart desirable properties, including charge transport, photostability, and tunable electronic behavior. By integrating this compound into polymer matrices or supramolecular assemblies, scientists aim to develop advanced materials with tailored functionalities for use in electronics, sensing, and energy storage.

Biological Pathway Elucidation: The application of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamide extends to the investigation of biological pathways and cellular mechanisms. Through the use of labeled or derivatized analogs, researchers can track the distribution, uptake, and metabolism of the compound in cellular systems. Such studies provide valuable insights into the transport mechanisms, intracellular localization, and potential off-target effects of structurally related molecules. By mapping the interactions and fate of this compound within biological systems, scientists enhance their understanding of complex cellular processes and inform the rational design of next-generation research tools.

Structure-Activity Relationship (SAR) Studies: The molecular complexity and synthetic accessibility of this benzothiophene-dihydroisoquinoline derivative make it a prime candidate for structure-activity relationship investigations. Chemists systematically modify its substituents to assess the impact on biological activity, physicochemical properties, and target engagement. These SAR studies yield critical data that inform the iterative design of more potent, selective, or bioavailable analogs. By serving as a versatile template for chemical diversification, the compound accelerates the discovery and refinement of functional molecules across a spectrum of research applications.

InChI
InChI=1S/C20H21N3OS/c21-11-17-16-7-3-4-8-18(16)25-20(17)22-19(24)13-23-10-9-14-5-1-2-6-15(14)12-23/h1-2,5-6H,3-4,7-10,12-13H2,(H,22,24)
InChI Key
JSOFSMYMJNFFMT-UHFFFAOYSA-N

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