426 research outputs found
Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl) : compounds with moderate aspartyl protease inhibition activity
We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collections.Peer reviewedPublisher PD
N-{(2S)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butyl}-4-methylbenzenesulfonamide
The thiadiazoyl and sulfonyl-benzene rings in the title compound, C20H23N3O3S3, are aligned to the same side of the molecule, forming a twisted ‘U’ shape [dihedral angle = 77.6 (5)°]. The benzyl-benzene ring is orientated in the opposite direction from the molecule but projects approximately along the same axis as the other rings [dihedral angle between benzene rings = 28.2 (5)°] so that, overall, the molecule has a flattened shape. The hydroxy and amine groups are almost syn which enables the formation of intermolecular hydroxy-OH⋯N(thiadiazoyl) and amine-H⋯O(sulfonyl) hydrogen bonds leading to a supramolecular chain aligned along the a axis
3-(2H-1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
The title molecule, C18H17NO4S, features a 1,3-thiazolidine ring that is twisted about the S—C(methylene) bond. With reference to this ring, the 1,3-benzodioxole and benzene rings lie to either side and form dihedral angles of 69.72 (16) and 83.60 (14)°, respectively, with the central ring. Significant twisting in the molecule is confirmed by the dihedral angle of 79.91 (13)° formed between the outer rings. Linear supramolecular chains along the a-axis direction mediated by C—H⋯O interactions feature in the crystal packing
tert-Butyl N-[3-hydroxy-1-phenyl-4-(pyrimidin-2-ylsulfanyl)butan-2-yl]carbamate monohydrate
In the title hydrate, C19H25N3O3S·H2O, the configuration at each chiral centre in the organic molecule is S, with the hydroxy and carbamate substituents being anti [O—C—C—N torsion angle = −179.3 (3)°]. The thiopyrimidyl and carbamate residues lie to one side of the pseudo-mirror plane defined by the C5S backbone of the molecule; this plane approximately bisects the benzene ring at the 1- and 4-C atoms. The dihedral angle formed between the terminal rings is 5.06 (18)°. In the crystal, supramolecular tubes aligned along the b axis are found: these are sustained by a combination of O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds
IDENTIFICAÇÃO DA CONTRIBUIÇÃO DO PLM (PRODUCT LIFE-CICLE MANAGEMENT) NO PROCESSO DE DESENVOLVIMENTO DE PRODUTO (PDP)
Looking for the success in globalization world, pharmacy manufactures must develop new products both to national and international sceneries in shorter time. This article show the importance of product lifecycle management (PLM) into global context.The PLM solutions' participation were identified into a product development process(PDP). As reference model, the ROZENFELD model was selected, as well as PLM solution which were made by UGS, IBM and DASSAULT enterprises. These solutions functions are placed and divided, upon PDP reference, in macro and task levels. Whereas, the PLM solutions are intented to be applied both on Chemical and Food industries, as such as manipulation pharmacies and laboratories of clinical analyses.Para atingir o sucesso no mundo globalizado, as indústrias farmacêuticas necessitam desenvolver novos produtos para os mercados nacional e internacional, lançando um novo produto à curto prazo. Diante disso, este artigo faz uma abordagem do sistema de gerenciamento do ciclo de vida do produto (PLM) no contexto global, identificando a contribuição das soluções PLM atuais dentro de um modelo de processo de desenvolvimento de produto (PDP). Foi escolhido como modelo de referência, o modelo ROZENFELD, e como solução de PLM, as soluções das empresas UGS, IBM e DASSAULT, sendo posicionadas as funcionalidades destas soluções em nível macro e de atividades no PDP referência. Desta forma, pretende-se direcionar a aplicação do PLM à indústria química e de alimentos, farmácias de manipulação e laboratórios de análises clínicas.
(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1-phenylbutan-2-yl]carbamate
In the title molecule, C28H33FN2O5S, the mean plane about the tertiary amine group (sum of the angles subtended at the sp
2-hybridized N atom = 359.7°) forms a dihedral angle of 16.66 (6)° with the phenyl ring adjacent to the carbamate group. The sulfonamide benzene ring and the hydroxy group lie to either side of the C2NS plane, whereas the benzylphenyl (connected to the N atom) and carbamate substituents lie to the other side. Supramolecular layers propagating in the ac plane are found in the crystal, linked by hydroxy–sulfonamide O—H⋯O and carbamate–carbamate N—H⋯O hydrogen bonds along with C—H⋯O and C—H⋯π interactions
Avaliação do extrato etanólico de Ottonia martiana Miq. para o controle de duas doenças florestais.
Metabólitos secundários presentes em plantas medicinais apresentam várias propriedades biológicas incluindo a atividade antifúngica. Esse estudo avaliou o potencial antifúngico da planta medicinal Ottonia martiana no controle da pinta-preta em erva-mate (Ilex paraguariensis) e do mofo-cinzento em eucalipto (Eucalyptus dunnii). Extrato etanólico (EBEtOH) dos órgãos totais (raízes, caules, folhas e frutos) foi preparado e testado na concentração de 1000 ?g mL-1 contra os patógenos Cylindrocladium spathulatum (pinta-preta) e Botrytis cinerea (mofo-cinzento). Bioensaios in vitro (germinação de esporos e bioautografia direta) e in vivo (teste de patogenicidade em mudas) mostraram que o EBEtOH reduziu o crescimento micelial dos patógenos testados e a germinação dos esporos de C. spathulatum e estimulou a germinação de esporos de B. cinerea. O teste de patogenicidade mostrou que o controle da pinta-preta em erva-mate e do mofo cinzento em eucalipto não é viável usando-se a concentração testada de EBEtOH de O. martiana. Na bioautografia direta, foram detectadas zonas de inibição de crescimento micelial dos fungos e que foram relacionadas com a presença de piperovatina
4-(Pyrimidin-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
The title compound, C12H15N3OS, features an envelope conformation for the 1,3-thiazolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thiazolidin-4-one ring as indicated by the N—C—C—N torsion angle of −111.96 (18)°. Supramolecular dimers are formed in the crystal structure through the agency of C—H⋯O contacts occurring between centrosymmetrically related molecules. These are linked into supramolecular tapes along [100] via C—H⋯S contacts
- …