Applications of Transition Metal Catalysis in Drug Discovery and Development

An Industrial Perspective

Author: Matthew L. Crawley,Barry M. Trost

Publisher: John Wiley & Sons

ISBN: 1118309839

Category: Science

Page: 376

View: 1332

This book focuses on the drug discovery and developmentapplications of transition metal catalyzed processes, which canefficiently create preclinical and clinical drug candidates as wellas marketed drugs. The authors pay particular attention tothe challenges of transitioning academically-developed reactionsinto scalable industrial processes. Additionally, the book lays thegroundwork for how continued development of transition metalcatalyzed processes can deliver new drug candidates. This workprovides a unique perspective on the applications of transitionmetal catalysis in drug discovery and development – it is aguide, a historical prospective, a practical compendium, and asource of future direction for the field.

Synthetic Methods in Drug Discovery

Volume 1

Author: David C. Blakemore,Paul M. Doyle,Yvette M. Fobian

Publisher: Royal Society of Chemistry

ISBN: 1849738033


Page: 474

View: 2070

The number of available synthetic methods can be overwhelming. In order to create novel motifs and templates which confer new and potentially valuable drug-like properties, it is important to know which synthetic methodologies will give the best results. Similarly, which methodologies are used to progress potential drug candidates from leads through the development process? What are the current industrial research problems and how can they be resolved in an industrial setting? This book highlights key methods that have real impact in drug discovery and facilitate delivery of drug molecules. Synthetic Methods in Drug Discovery Volume 1 focuses on the hugely important area of transition metal mediated methods used in industry. Current methods of importance such as the Suzuki-Miyaura coupling, Buchwald-Hartwig couplings and CH activation are discussed. In addition, exciting emerging areas such as decarboxylative coupling, and the uses of iron and nickel in coupling reactions are also covered. This book provides both academic and industrial perspectives on some key reactions giving the reader an excellent overview of the techniques used in modern synthesis. Reaction types are conveniently framed in the context of their value to industry and the challenges and limitations of methodologies are discussed with relevant illustrative examples. Edited and authored by leading scientists from both academia and industry, this book will be a valuable reference for all chemists involved in drug discovery as well as postgraduate students in medicinal chemistry.

Catalytic Cascade Reactions

Author: Peng-Fei Xu,Wei Wang

Publisher: John Wiley & Sons

ISBN: 1118016025

Category: Science

Page: 440

View: 9914

Demonstrates the advantages of catalytic cascade reactions for synthesizing natural products and pharmaceuticals Riding the wave of green chemistry, catalytic cascade reactions have become one of the most active research areas in organic synthesis. During a cascade reaction, just one reaction solvent, one workup procedure, and one purification step are needed, thus significantly increasing synthetic efficiency. Featuring contributions from an international team of pioneers in the field, Catalytic Cascade Reactions demonstrates the versatility and application of these reactions for synthesizing valuable compounds. The book examines both organocatalysis and transition-metal catalysis reactions, bringing readers up to date with the latest discoveries and activities in all major areas of catalytic cascade reaction research. Catalytic Cascade Reactions begins with three chapters dedicated to organocatalytic cascade reactions, exploring amines, Brønsted acids, and the application of organocatalytic cascade reactions in natural product synthesis and drug discovery. Next, the book covers: Gold-catalyzed cascade reactions Cascade reactions catalyzed by ruthenium, iron, iridium, rhodium, and copper Palladium-catalyzed cascade reactions of alkenes, alkynes, and allenes Application of transition-metal catalyzed cascade reactions in natural product synthesis and drug discovery Engineering mono- and multifunctional nanocatalysts for cascade reactions Multiple-catalyst-promoted cascade reactions All chapters are thoroughly referenced, providing quick access to important original research findings and reviews so that readers can explore individual topics in greater depth. Drawing together and analyzing published findings scattered across the literature, this book provides a single source that encapsulates our current understanding of catalytic cascade processes. Moreover, it sets the stage for the development of new catalytic cascade reactions and their applications.

Sustainable Synthesis of Pharmaceuticals

Using Transition Metal Complexes as Catalysts

Author: Mariette M. Pereira,Mario J. F. Calvete

Publisher: Royal Society of Chemistry

ISBN: 1788010655

Category: Business & Economics

Page: 286

View: 2756

There is a growing interest in the development of sustainable processes for the synthesis of pharmaceuticals and this book bridges the divide between industrial examples and the fundamental chemistry. It explains the basic principles of using transition metal catalysis with several green approaches for the synthesis of pharmaceuticals. The topic is an important one for green chemistry and the chapters in this book on hydroformylation, green oxidation and olefin metathesis will also be of interest to both medicinal and organic chemists. Written by leading experts in the field, it provides a valuable and easy tool for scientists and industrialists who require information regarding this topic.

Spectral Methods in Transition Metal Complexes

Author: K. Sridharan

Publisher: Elsevier

ISBN: 0128096543

Category: Science

Page: 202

View: 513

Spectral Methods in Transition Metal Complexes provides a conceptual understanding on how to interpret the optical UV-vis, vibrational EPR, and NMR spectroscopy of transition metal complexes. Metal complexes have broad applications across chemistry in the areas of drug discovery, such as anticancer drugs, sensors, special materials for specific requirements, and catalysis, so a thorough knowledge in preparation and characterization of metal complexes, while niche, is critical. Accessible to both the seasoned researcher and the graduate student alike, this book provides readers with a single source of content that addresses spectral methods in transition metal complexes. Provides readers with a single reference on metal complexes and coordination compounds Contains more than 100 figures, tables, and illustrations to aid in the retention of key concepts Authored by a scientist with nearly 40 years of experience in research and instruction

Transition Metal-Catalyzed Couplings in Process Chemistry

Case Studies From the Pharmaceutical Industry

Author: Javier Magano,Joshua R. Dunetz

Publisher: John Wiley & Sons

ISBN: 3527658920

Category: Science

Page: 401

View: 8213

Transition metal-catalyzed coupling reactions have a rich history that led to the awarding of the 2010 Nobel Prize in Chemistry to Professors Suzuki, Heck, and Negishi for their pioneering contributions to the field. The coming of age of this active area of research is showcased in this book through case studies in which process chemists from the pharmaceutical industry share their personal experiences developing their own transition metal-catalyzed couplings for the large-scale manufacture of active pharmaceutical ingredients. Authors from Pfizer, Merck, Boehringer-Ingelheim, Novartis, Amgen, GSK, AstraZeneca, and other companies describe the evolution of robust coupling processes from inception through early and late development, including commercial routes where applicable. This book covers a wide range of coupling transformations while capturing the lessons learned from each process. Every case study details the optimization of at least one transition metal-catalyzed coupling while elaborating on issues such as design of experiments, scalability and throughput, product purification, process safety, and waste management. The important issue of metal removal and the different technologies available to accomplish this goal are also addressed. Finally, a section covers novel technologies for cross-coupling with high potential for future applications on a large scale, such as microwave and flow chemistry as well as green cross-couplings performed in water. With Forewords by Stephen L. Buchwald, Massachusetts Institute of Technology, Trevor Laird, Editor of Organic Process Research and Development and Neal G. Anderson, Anderson's Process Solutions LLC.

Organic Synthesis Using Transition Metals

Author: Roderick Bates

Publisher: John Wiley & Sons

ISBN: 1118313666

Category: Science

Page: 464

View: 5943

Transition metals open up new opportunities for synthesis, becausetheir means of bonding and their reaction mechanisms differ fromthose of the elements of the s and p blocks. In the last twodecades the subject has mushroomed - established reactions areseeing both technical improvements and increasing numbers ofapplications, and new reactions are being developed. Thepracticality of the subject is demonstrated by the large number ofpublications coming from the process development laboratories ofpharmaceutical companies, and its importance is underlined by thefact that three Nobel prizes have been awarded for discoveries inthis field in the 21st Century already. Organic Synthesis Using Transition Metals, 2nd Editionconsiders the ways in which transition metals, as catalysts andreagents, can be used in organic synthesis, both for pharmaceuticalcompounds and for natural products. It concentrates on thebond-forming reactions that set transition metal chemistry apartfrom "classical" organic chemistry. Each chapter isextensively referenced and provides a convenient point of entry tothe research literature. Topics covered include: introduction to transition metals in organic synthesis coupling reactions C-H activation carbonylative coupling reactions alkene and alkyne insertion reactions electrophilic alkene and alkyne complexes reactions of alkyne complexes carbene complexes spanstyle="font-family: Symbol; font-size: 10pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: Arial; mso-ansi-language: EN-GB; mso-fareast-language: EN-US; mso-bidi-language: AR-SA;"h/span3-or spanstyle="font-family: Symbol; font-size: 10pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: Arial; mso-ansi-language: EN-GB; mso-fareast-language: EN-US; mso-bidi-language: AR-SA;"p/span-allyl-allyl complexes diene, dienyl and arene complexes cycloaddition and cycloisomerisation reactions For this second edition the text has been extensively revisedand expanded to reflect the significant improvements and advancesin the field since the first edition, as well as the large numberof new transition metal-catalysed processes that have come toprominence in the last 10 years – for example theextraordinary progress in coupling reactions using“designer” ligands, catalysis using gold complexes, newopportunities arising from metathesis chemistry, and C-H activation– without neglecting the well established chemistry of metalssuch as palladium. Organic Synthesis Using Transition Metals, 2nd Editionwill find a place on the bookshelves of advanced undergraduates andpostgraduates working in organic synthesis, catalysis, medicinalchemistry and drug discovery. It is also useful for practisingresearchers who want to refresh and enhance their knowledge of thefield.

Exploiting Chemical Diversity for Drug Discovery

Author: Paul A Bartlett,Michael Entzeroth

Publisher: Royal Society of Chemistry

ISBN: 1847552552

Category: Science

Page: 444

View: 4049

Conceptual and technological advances in chemistry and biology have transformed the drug discovery process. Evolutionary pressure among the diverse scientific and engineering disciplines that contribute to the identification of biologically active compounds has resulted in synergistic improvements at every step in the process. Exploiting Chemical Diversity for Drug Discovery encompasses the many components of this transformation and presents the current state-of-the-art of this critical endeavour. From the theoretical and operational considerations in generating a collection of compounds to screen, to the design and implementation of high-capacity and high-quality assays that provide the most useful biological information, this book provides a comprehensive overview of modern approaches to lead identification. Beginning with an introductory overview, subsequent chapters address topics that include the design of chemical libraries and methods for optimizing their diversity; automated and accelerated chemistry; high throughput assay design and detection techniques; and strategies for data analysis and property optimization. Written by experts in the field, both academic and industrial, and illustrated in full colour, this book provides an excellent overview for current practitioners and will also serve as a stimulating resource for future generations. Researchers in organic and medicinal chemistry, the biological and pharmacological sciences, as well as those interested in allied computational and engineering disciplines will value the comprehensive and up-to-date coverage.

Sustainable Catalysis

Challenges and Practices for the Pharmaceutical and Fine Chemical Industries

Author: Peter J. Dunn,K. K. (Mimi) Hii,Michael J. Krische,Michael T. Williams

Publisher: John Wiley & Sons

ISBN: 1118354516

Category: Science

Page: 440

View: 4714

Opens the door to the sustainable production ofpharmaceuticals and fine chemicals Driven by both public demand and government regulations,pharmaceutical and fine chemical manufacturers are increasinglyseeking to replace stoichiometric reagents used in synthetictransformations with catalytic routes in order to develop greener,safer, and more cost-effective chemical processes. This booksupports the discovery, development, and implementation of newcatalytic methodologies on a process scale, opening the door to thesustainable production of pharmaceuticals and fine chemicals. Pairing contributions from leading academic and industrialresearchers, Sustainable Catalysis focuses on key areas thatare particularly important for the fine chemical and pharmaceuticalindustries, including chemo-, bio-, and organo-catalytic approachesto C–H, C–N, and C–C bond-forming reactions.Chapters include academic overviews of current innovations andindustrial case studies at the process scale, providing newinsights into green catalytic methodologies from proof-of-conceptto their applications in the synthesis of target organicmolecules. Sustainable Catalysis provides the foundation needed todevelop sustainable green synthetic procedures, with coverage ofsuch emerging topics as: Catalytic reduction of amides avoiding LiAlH4 or B2H6 Synthesis of chiral amines using transaminases Industrial applications of boric acid and boronic acidcatalyzed direct amidation reactions C–H activation of heteroaromatics Organocatalysis for asymmetric synthesis Offering a balanced perspective on current limitations,challenges, and solutions, Sustainable Catalysis isrecommended for synthetic organic chemists seeking to develop newmethodologies and for industrial chemists dedicated to large-scaleprocess development.

Focus on Nanomaterials Research

Author: B. M. Caruta

Publisher: Nova Publishers

ISBN: 9781594548970

Category: Science

Page: 284

View: 8964

Nanotechnology is a 'catch-all' description of activities at the level of atoms and molecules that have applications in the real world. A nanometre is a billionth of a meter, about 1/80,000 of the diameter of a human hair, or 10 times the diameter of a hydrogen atom. Nanotechnology is now used in precision engineering, new materials development as well as in electronics; electromechanical systems as well as mainstream biomedical applications in areas such as gene therapy, drug delivery and novel drug discovery techniques. This book presents the latest research in this frontier field.

Computational Medicinal Chemistry for Drug Discovery

Author: Patrick Bultinck,Hans De Winter,Wilfried Langenaeker,Jan P. Tollenare

Publisher: CRC Press

ISBN: 0824758633

Category: Science

Page: 1169

View: 1854

Observing computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.

Organometallic Chemistry and Catalysis

Author: Didier Astruc

Publisher: Springer Science & Business Media

ISBN: 3540461299

Category: Science

Page: 608

View: 4115

This volume covers both basic and advanced aspects of organometallic chemistry of all metals and catalysis. In order to present a comprehensive view of the subject, it provides broad coverage of organometallic chemistry itself. The catalysis section includes the challenging activation and fictionalization of the main classes of hydrocarbons and the industrially crucial heterogeneous catalysis. Summaries and exercises are provides at the end of each chapter, and the answers to these exercises can be found at the back of the book. Beginners in inorganic, organic and organometallic chemistry, as well as advanced scholars and chemists from academia and industry will find much value in this title.

Bioorganometallic Chemistry

Applications in Drug Discovery, Biocatalysis, and Imaging

Author: Gérard Jaouen,Mich?le Salmain

Publisher: John Wiley & Sons

ISBN: 3527335277

Category: Science

Page: 398

View: 7335

An up-to-date reference reflecting the significant advances and important breakthroughs made in this emerging discipline over the last decade. As such, the book provides an overview of the latest developments and future trends in the field, focusing on such applications as the development of potentially active organometallic drugs against incurable diseases, as well as in such areas as catalysis, energy, analytical chemistry, and imaging. The renowned editor, who established the term "bioorganometallics", and his international team of experts have put together a valuable resource for researchers in organometallic, inorganic, medicinal, and biochemistry.

Drug Design Strategies

Computational Techniques and Applications

Author: Lee Banting,Tim Clark,David E. Thurston

Publisher: Royal Society of Chemistry

ISBN: 1849731675

Category: Medical

Page: 239

View: 9283

This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design.

Nanoporous Materials IV

Proceedings of the 4th International Symposium on Nanoporous Materials, Niagara Falls, Ontario, Canada June 7-10, 2005

Author: Abdel Sayari,Mietek Jaroniec

Publisher: Elsevier

ISBN: 9780080456522

Category: Technology & Engineering

Page: 980

View: 3691

Nanoporous Materials IV contains the invited lectures and peer-reviewed oral and poster contributions to be presented at the 4th International Symposium on Nanoporous Materials, which will be hosted in Niagara Falls, Ontario, Canada, June 7-10, 2005. This volume covers complementary approaches to and recent advances in the field of nanostructured materials with pore sizes larger than 1nm, such as periodic mesoporous molecular sieves (e.g., MCM-41 and SBA-15) and related materials including clays, ordered mesoporous carbons, colloidal crystal templated materials, porous polymers and sol gels. The broad range of topics covered in relation to the synthesis and characterization of ordered mesoporous materials are of great importance for advanced adsorption, catalytic, separation and environmental processes as well as for the development of nanotechnology. This volume contains over 120 contributions related to the synthesis of ordered mesoporous silicas, organosilicas, nonsiliceous inorganic materials, carbons, polymers and related materials, their characterization and applications in adsorption, catalysis and environmental clean up. * Unique contributions brings readers up-to-date on new research and application developments * Figures and tables supplement comprehensive topics * Extensive author and subject index


Author: Valentine P. Ananikov,Masato Tanaka

Publisher: Springer

ISBN: 364233735X

Category: Science

Page: 368

View: 8114

Valentine P. Ananikov, Irina P. Beletskaya: Alkyne and alkene insertion into metal-heteroatom and metal-hydrogen bonds – the key stages of hydrofunctionalization process.- Akihiko Ishii* and Norio Nakata: The Mechanism for Transition Metal-Catalyzed Hydrochalcogenation of Unsaturated Organic Molecules.- A. L. Reznichenko and Kai C. Hultzsch: Early Transition Metal (Group 3-5, Lanthanides and Actinides) and Main Group Metal (Group 1, 2, and 13) Catalyzed Hydroamination.- Naoko Nishina and Yoshinori Yamamoto: Late transition metal catalyzed hydroamination.- Sumod A. Pullarkat and Pak-Hing Leung: Chiral Metal Complex Promoted Asymmetric Hydrophosphinations.- Masato Tanaka: Recent Progress in Transition Metal-Catalyzed Addition Reactions of H-P(O) Compounds with Unsaturated Carbon Linkages.- Christian Bruneau: Group 8 metals-catalyzed O-H bond addition to unsaturated molecules.- Giorgio Abbiati, Egle M. Beccalli, Elisabetta Rossi: Groups 9 and 10 metals-catalyzed O-H bond addition to unsaturated molecules.- Núria Huguet and Antonio M. Echavarren: Gold-Catalyzed O-H Bond Addition to Unsaturated Organic Molecules.- Akiya Ogawa: Transition-Metal-Catalyzed S-H and Se-H Bonds Addition to Unsaturated Molecules.

Fundamentals of Organometallic Catalysis

Author: Dirk Steinborn

Publisher: John Wiley & Sons

ISBN: 3527327169

Category: Science

Page: 456

View: 9503

Catalysis, the basic principle for overcoming the kinetic inhibition of chemical reactions, is fundamental in chemistry. In particular, organometallic catalysis plays an overwhelming role in both research and industry. It opens the way to entirely novel synthetic methods and finds widespread applications ranging from mass-production of everyday polymers to stereocontrolled synthesis of bioactive chemicals used as pharmaceuticals and agrochemicals. The targeted development of improved and novel catalysts demands understanding of the relationships between their structures and catalytic properties. Accordingly, this textbook offers the reader a fundamental understanding of the course of organometallic-catalyzed reactions, starting at the molecular level. The initial chapters explain the principles of catalysis and the elementary steps in organometallic catalysis. The book then explores important organometallic-catalyzed reactions, with a focus on mechanism. Current developments are emphasized throughout. Asymmetric synthesis is covered in depth. Finally, the book examines the catalytic behavior of particular metalloenzymes. A look at nitrogen fixation offers a comparative examination of the three major areas of catalysis - homogeneous, heterogeneous, and enzymatic. In addition to problems, the textbook offers solutions, making the book an invaluable learning tool. It is a must-have for advanced students in chemistry and biochemistry, as well as for inorganic and organic chemists, for those working with organometallics, and for those specializing in catalysis.

Asymmetric Organocatalysis

From Biomimetic Concepts to Applications in Asymmetric Synthesis

Author: Albrecht Berkessel,Harald Gröger

Publisher: John Wiley & Sons

ISBN: 3527604057

Category: Science

Page: 454

View: 729

Asymmetric catalysis represents still one of the major challenges in modern organic chemistry. Besides the well-established asymmetric metal-complex-catalysed syntheses and biocatalysis, the use of "pure" organic catalysts turned out to be an additional efficient tool for the synthesis of chiral building blocks. In this handbook, the experienced authors from academia and industry provide the first overview of the important use of such metal-free organic catalysts in organic chemistry. With its comprehensive description of numerous reaction types, e.g., nucleophilic substitution and addition reactions as well as cycloadditions and redox reactions, this book targets organic chemists working in industry and academia, and deserves a place in every laboratory.

Molecular Diversity and Combinatorial Chemistry

Libraries and Drug Discovery

Author: Irwin M. Chaiken,Kim D. Janda

Publisher: Amer Chemical Society

ISBN: 9780841234505

Category: Science

Page: 328

View: 1559

Reports progress on chemical, enzymatic, phage, and cell-derived libra ries. Discusses synergy between structure-based design and combinatori al libraries. Presents applications of combinatorial libraries to drug discovery and new synthetic catalysis. Reports library screening appr oaches, including the use of NMR. Presents recent advances in solid-ph ase organic synthesis, liquid-phase organic synthesis, and high-throug hput combinatorial organic synthesis. Discusses automation of organic synthesis as well as new methodologies for monitoring solid-phase orga nic synthesis.