The Merck Index pdf epub mobi txt 电子书 下载 2026

简体网页||繁体网页

☆☆☆☆☆

出版者:Merck Manuals

作者:Merck Editor

出品人:

页数:2520

译者:

出版时间:2006-10-30

价格:GBP 75.99

装帧:Hardcover

isbn号码:9780911910001

丛书系列:

图书标签:

• 化学
• 药物
• 参考书
• 索引
• 化学物质
• 药物信息
• 科学
• 医药
• 化合物
• 有机化学

A Comprehensive Guide to Modern Chemical and Pharmacological Research: The Essential Compendium of Organic Compounds and Bioactive Agents This monumental reference work, The Essential Compendium of Organic Compounds and Bioactive Agents, stands as the definitive resource for chemists, pharmacologists, toxicologists, and researchers operating at the cutting edge of molecular science. Unlike encyclopedic works focusing solely on established drug molecules or historical chemical entities, this compendium is meticulously structured to capture the vast and rapidly evolving landscape of novel synthetic targets, natural product derivatives, and emerging therapeutic candidates. It serves as an indispensable companion for navigating the complexity of contemporary chemical information, offering unparalleled depth and breadth across critical areas of scientific inquiry. The structure of this volume is designed for maximum utility, moving beyond simple alphabetical listing to organize information based on chemical functionality, synthetic accessibility, and biological relevance. It is partitioned into five primary, interconnected sections, each representing a fundamental pillar of modern chemical research. Part I: Structural Classification and Physicochemical Profiling This initial section is dedicated to the rigorous classification and characterization of small organic molecules, emphasizing features crucial for drug design and materials science. It moves systematically through the major functional classes, but with a pronounced focus on stereochemistry and conformation—areas often inadequately treated in standard handbooks. Detailed Coverage Includes: Advanced Heterocyclic Systems: Exhaustive coverage of novel nitrogen, oxygen, and sulfur-containing ring systems beyond the common indole or pyridine scaffolds. This includes spiro compounds, bridged bicyclic systems, and macrocycles relevant to peptidomimetics. Specific attention is paid to tautomeric equilibria and the influence of solvent polarity on observed physicochemical parameters ($ ext{p}K_a$, $log P$). Stereochemical Descriptors and Chirality: A comprehensive atlas of configurations for compounds exhibiting multiple chiral centers. It integrates the latest IUPAC recommendations for Cahn-Ingold-Prelog (CIP) nomenclature, alongside discussions on atropisomerism and axial chirality relevant to hindered rotation in axially symmetric molecules. Computational Descriptors and ADMET Prediction Inputs: For thousands of entries, predicted physicochemical properties derived from validated computational models are provided, including Topological Polar Surface Area (TPSA), molecular flexibility indices, and calculated logD values at physiological pH. This facilitates rapid in silico filtering for lead optimization campaigns. Solid-State Chemistry Insights: Where available, data pertaining to polymorph screening results, crystal habit descriptions, and relevant X-ray diffraction patterns (e.g., unit cell parameters, space groups) for key reference compounds are cataloged, crucial for formulation scientists. Part II: Natural Product Isolation, Structure Elucidation, and Semi-Synthesis This section addresses the crucial intersection between natural discovery and synthetic modification. It is not a mere listing of known phytoconstituents, but a curated database focusing on compounds exhibiting significant bioactivity or presenting unique biosynthetic challenges. Key Components: Biosynthetic Precursors and Intermediates: Detailed pathways outlining the biosynthetic origins of complex terpenes, polyketides, and complex alkaloids. This includes structural data on key intermediate metabolites that may not possess inherent bioactivity but are essential for understanding the final structure. Structural Variants (Analogs from Diverse Sources): Comparison tables detailing closely related natural products isolated from different taxonomic sources (e.g., marine organisms vs. terrestrial fungi). Emphasis is placed on differences in oxidation states, glycosylation patterns, and unusual side-chain modifications that alter biological profiles. Semi-Synthetic Modification Reports: A focused review of established synthetic routes used to chemically modify parent natural products to enhance potency, improve stability, or alter selectivity. This includes specific reaction conditions (catalysts, temperature profiles) employed in successful transformations of complex scaffolds. Taxonomic and Geographic Provenance: Precise data linking the chemical structure to the source organism, including voucher specimen information where applicable, to ensure reproducibility in follow-up biological testing. Part III: Novel Synthetic Methodologies and Reaction Informatics The heart of this compendium for synthetic organic chemists lies in its organized presentation of reaction types, focusing not on standard textbook reactions, but on cutting-edge transformations that enable the construction of increasingly complex molecular architectures. Methodological Focus Areas: Catalytic Cross-Coupling Variations: Beyond the foundational Suzuki and Heck reactions, this section provides extensive data on emerging palladium, nickel, and copper-catalyzed couplings involving challenging substrates, such as C(sp3)-H activation, directed ortho-metalation (DoM) strategies, and photochemical variants. Asymmetric Catalysis Protocols: Detailed summaries of ligands and catalysts employed in highly enantioselective transformations (e.g., organocatalysis, transition-metal-catalyzed hydrogenations, epoxidations). The output data includes established enantiomeric excess ($ ext{ee}$) values achieved for standard benchmark substrates under optimized conditions. Flow Chemistry and Continuous Processing Applications: A survey of complex multi-step syntheses that have been successfully adapted to continuous flow reactors, detailing residence times, mixing parameters, and associated safety profiles for exothermic or unstable intermediate steps. Reagent Stability and Handling Notes: Practical, experience-based guidance on handling highly reactive or air-sensitive reagents (e.g., organolithiums, boranes, specific oxidizers) crucial for scaling up laboratory procedures. Part IV: Pharmacophore Modeling and Target Interaction Data This section addresses the functional implications of molecular structure, focusing on compounds actively under investigation for therapeutic potential, whether they are synthetic leads, approved agents lacking comprehensive cross-referencing, or characterized toxicological agents. Bioactivity Data Structure: Target Specificity Mapping: For agents showing high affinity, data tables correlate the precise molecular structure with the specific biological target (e.g., enzyme class, receptor subtype, ion channel). This includes $ ext{IC}_{50}$, $ ext{K}_i$, or $ ext{EC}_{50}$ values derived from standardized assays, noting the organism/cell line used. Structure-Activity Relationship (SAR) Trends: Summaries detailing how minor modifications to specific peripheral groups (e.g., halogenation, alkyl chain length changes) correlate with statistically significant shifts in potency or selectivity against related targets. In Vitro Metabolism Predictions: Data derived from high-throughput screening against major cytochrome P450 isoforms ($ ext{CYP3A4}$, $ ext{CYP2D6}$, etc.), providing an early indication of potential metabolic liability or drug-drug interaction risk based on structural features. Toxicity Benchmarks: Cataloging established reference compounds known for specific modes of toxicity (e.g., hepatotoxicity, hERG channel blockade), accompanied by their structural fingerprints, serving as necessary negative controls or benchmarks in new compound evaluation. Part V: Analytical Methodology and Reference Standards The final section consolidates the practical spectroscopic and chromatographic data required for the definitive identification and quantification of compounds discussed throughout the volume, ensuring rigorous scientific traceability. Analytical Specifications: High-Resolution Mass Spectrometry (HRMS) Data: Expected exact mass, fragmentation patterns ($ ext{MS}^2$), and ionization modes ($ ext{ESI}^+$, $ ext{APCI}^-$) for key representative structures across different chemical classes. Nuclear Magnetic Resonance (NMR) Fingerprints: Representative ${}^1 ext{H}$ and ${}^{13} ext{C}$ chemical shift data ($delta$ values) for structurally complex motifs, focusing on unique signals that distinguish isomers or stereoisomers. Data is often correlated with 2D experiments (e.g., $ ext{COSY}$, $ ext{HMBC}$) for complex natural products. Chromatographic Separation Protocols: Optimized $ ext{HPLC}$ and $ ext{GC}$ conditions (column stationary phase, mobile phase gradient, flow rate) frequently employed for the analysis and purification of the compounds listed, allowing researchers to rapidly establish reliable analytical methods for their own work. Reference Material Certification: Information regarding the purity verification standards used for critical reference materials, including elemental analysis results and traceability to primary standards where applicable. The Essential Compendium of Organic Compounds and Bioactive Agents is engineered to be a living document, reflecting the dynamic nature of chemical discovery. Its rigorous cross-referencing system, spanning structural, synthetic, and functional domains, ensures that researchers can rapidly transition from a theoretical molecular concept to practical laboratory execution and subsequent biological evaluation. It represents the current state-of-the-art aggregation of molecular knowledge necessary for innovation in pharmaceuticals, agrochemicals, and advanced materials science.

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆

评分☆☆☆☆☆