Patents structure elucidation

Since 1970, a number of investigations deal with the isolation and structural elucidation of the active principles in M. tomentosa and other species, the organic synthesis of some isolates and unique analogues, and pharmacological and clinical studies. A total of twenty one US patents have been filled out for use and synthesis of single components and for the use of the decoction as a fertility agent [19-25]. 

In this book, we describe, extend and apply methods of computer chemistry and chemoinformatics, suitable for molecular structure generation, structure elucidation, combinatorial chemistry, QSPRs, the generation of chemical patent libraries and so on. The tools come from discrete mathematics (graph theory, constructive combinatorics), stochastics (explorative data analysis, supervised and unsupervised learning), computer science (data structures, algorithms) and chemistry (combinatorial chemistry, molecular structure elucidation). 

Only in 1990 were the remains of the original extract stored by Daly subjected to modern analytical methods and the structure of the compound - which was named epibatidine - finally elucidated by spectroscopic methods, especially IR and NMR techniques (Spande et al., 1992 Daly, 1993 Daly et al., 2000). This was published in 1992 -12 years after the initial publication on Epipedobates tricolor extracts (Daly et al., 1980) and very shortly after Daly and co-workers had filed patents on epibatidine and close structural analogs (see Epibatidine). 

Underlying this statement is the fundamental principle that the raw sequence data, as such, is discovery and thus not patentable, whilst subsequent elucidation of the structure and function of specific genes, and development of products from this understanding, is invention and thus patentable. Not only does this accord with basic patent law as seen by most experts, but it also has important benefits both for scientific advance and for commercial development the pace of scientific advance has always been favoured by free and open exchange of basic discoveries commercial inventions based on subsequent explicit elucidation of the workings of particular genes will have clear commercial protection as the intellectual property of the investor. 

It was quite clear that the scale of production in the William Dunn School could barely provide enough material for further clinical trials hence, Florey tried to elicit the help of drug companies. ICI, Burroughs Wellcome, Boots and a small London company, Kemball-Bishop, all showed interest but due to the exigencies of war-tom Britain, none had sufficient funds for speculative research. They were probably also worried that a chemical synthesis of penicillin would be devised once its structure had been elucidated thus, money spent on culture technology would be wasted. They were also probably worried about the patent situation. Florey had mentioned this issue to the Medical Research Council, which had provided a modest amount of research money. Apparently, the senior MRC officials were vehemently opposed to patenting on the grounds that it was unethical for medical researchers to benefit from their discoveries. The American pharmaceutical companies suffered no such qualms of conscience, and in due course the British companies had to pay royalties to their US counterparts before they could produce penicillins. 

Diary] and triaryl or naphthyl carbamates exhibit low herbicidal activity. The substitution of the aryl radical for a heterocyclic radical gives heterocyclic alkyl and dialkyl ureas, of which many examples have been prepared in recent years. The herbicidal activity of urea derivatives containing a heterocyclic radical, such as benzthiazole, thiazole, thiadiazole, oxadiazole and pyridine, is favourable if one or two methyl groups are substituted at the N -nitrogen. The carrier of total or selective action in these derivatives is presumably the heterocyclic part of the molecule. More recently several new groups of compounds have become known, mainly in the patent literature, for which the structure-activity on relationships are still to be elucidated. 

Patent law treats chemical inventors generously. To obtain protection, it does not demand they elucidate the structures of the compoimds they claim. A so-called product-by-process claim lets inventors secure a patent for compounds of unknown structure. An allowable claim of this kind relates the starting material(s), solvent(s), reaction(s), and procedure(s) needed to produce the compound of interest. Effectively it specifies that the object of the invention is whatever remains when the inventor s instructions have been scrupulously followed. Such a claim offers uncertain protection, for a competitor can perhaps circumvent the patent by making the compoimd through a different synthesis. 

Most studies of structure activity relationships (SAR) rely on degradations of baccatin and semisynthesis. [1, 3, 4] First insights into the SAR of taxol derivatives have been summerized in a recent article on C ring aryl derivatives, [4] and more can be expected in the near future as patented information becomes released. Total synthesis, especially in preparing the way for the synthesis of derivatives, will be of great importance to elucidate the relationship between structure, microtubuli stabilization and anticancer activity more thoroughly. This impact of total syn-... 

Methods for the isolation of the alkaloids of L. inflata have been described in many patents (480). The isolation of these alkaloids and the elucidation of their chemical structure is due to Heinrich Wieland and his... 

Ferroelectric properties of KH2PO4 observed Generation of P by neutron bombardment of P Synthesis and structure determination of vitamin Bj (thiamine) Elucidation of the tricarboxylic acid (Krebs) cycle Patented phosphate bonding of refractories with H3PO4 Showed RNA was present in viruses as well as protein Synthesis of vitamin Bj... 

Securinine (1), the parent alkaloid of this astonishing family, was isolated by Murav eva and Ban kovskii from Securinega suffrutkosa (Pall.) Rehder during their work on the plants of Russian Far East. Its molecular ftirmula was estabhshed as CisHjsNOa. In addition, Soviet researchers determined the presence of a lactone moiety and extended conjugation by IR and UV spectroscopy. Further analysis of the structural information predicted the absence of N-methyl, O-methyl, hydroxyl, methylenedioxy, or ketone groups. Despite its unknown structure, 1 was approved for medical use in the USSR as a substitute of imported strychnine (see Section 8.1). The patents on its isolation, its dihydro and tetrahydro derivative, and various quaternary salts followed. Later, the structure of securinine (1) was simultaneously elucidated... 

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