{"id":10922,"date":"2022-11-10T04:21:56","date_gmt":"2022-11-09T20:21:56","guid":{"rendered":"https:\/\/www.pyrazoles-derivatives.com\/?p=10922"},"modified":"2022-11-10T04:21:56","modified_gmt":"2022-11-09T20:21:56","slug":"si-wei-jies-team-published-research-in-new-journal-of-chemistry-in-2019-cas-769132-77-6","status":"publish","type":"post","link":"https:\/\/www.pyrazoles-derivatives.com\/?p=10922","title":{"rendered":"Si, Wei-Jie’s team published research in New Journal of Chemistry in 2019 | CAS: 769132-77-6"},"content":{"rendered":"

Si, Wei-Jie published the artcileDesign, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety<\/i><\/b>, Synthetic Route of 769132-77-6<\/a>, the main research area is pyrazole carboxamide niacinamide benzimidazole preparation antifungal; quant structure activity relationship.<\/p>\n

A series of novel pyrazole carboxamide I (R1 = H, Cl, Me; R2 = Me, CF3), II (R1 = H, Cl, Me; R2 = Me, i-Bu) and niacinamide derivatives III (R1 = H, Cl, Me; R2 = H, Cl, SH) containing a benzimidazole moiety were designed and synthesized as antifungal candidate agents. The structure of compound I (R1 = H; R2 = Me) was confirmed by single crystal X-ray diffraction anal. The antifungal activities of the target compounds were evaluated in vitro against four phytopathogenic fungi (namely Botrytis cinerea, Rhizoctonia solani, Fusarium graminearum and Alternaria solani) by the mycelium growth inhibition method. The bioassay results indicated that some of the compounds exhibited good antifungal activity against B. cinerea at 100 \u03bcg ML-1 compared to other three fungi. In order to better explore the structure-activity relationship (SAR), the EC50 values of target compounds against B. cinerea were measured and assessed. Subsequently, a 3D quant. structure-activity relationship (3D-QSAR) study was carried out using the comparative mol. field anal. (CoMFA) technique based on the inhibitory activities of tested compounds against B. cinerea. Mol. modeling results revealed fine predictive ability with cross-validated q2 and non-cross-validated r2 values of 0.578 and 0.850, resp.<\/p>\n

New Journal of Chemistry published new progress about Fungal plant disease. 769132-77-6 belongs to class pyrazoles-derivatives, name is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C9H14N2O2, Synthetic Route of 769132-77-6<\/a>.<\/p>\n

Referemce:
Pyrazole – Wikipedia<\/a>,
Pyrazoles – an overview | ScienceDirect Topics<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

New Journal of Chemistry published new progress about Fungal plant disease. 769132-77-6 belongs to class pyrazoles-derivatives, name is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C9H14N2O2, Synthetic Route of 769132-77-6<\/a>.<\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[774,131],"tags":[717],"class_list":["post-10922","post","type-post","status-publish","format-standard","hentry","category-769132-77-6","category-pyrazoles-derivatives","tag-m-w150-200"],"yoast_head":"\nSi, Wei-Jie's team published research in New Journal of Chemistry in 2019 | CAS: 769132-77-6 | pyrazoles-derivatives<\/title>\n<meta name=\"description\" content=\"Si, Wei-Jie published the artcileDesign, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety, Synthetic Route of 769132-77-6, the main research area is pyrazole carboxamide niacinamide benzimidazole preparation antifungal; quant structure activity relationship.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Si, Wei-Jie's team published research in New Journal of Chemistry in 2019 | CAS: 769132-77-6 | pyrazoles-derivatives\" \/>\n<meta property=\"og:description\" content=\"Si, Wei-Jie published the artcileDesign, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety, Synthetic Route of 769132-77-6, the main research area is pyrazole carboxamide niacinamide benzimidazole preparation antifungal; quant structure activity relationship.\" \/>\n<meta property=\"og:url\" content=\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922\" \/>\n<meta property=\"og:site_name\" content=\"pyrazoles-derivatives\" \/>\n<meta property=\"article:published_time\" content=\"2022-11-09T20:21:56+00:00\" \/>\n<meta name=\"author\" content=\"Jessica.F\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Jessica.F\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922\",\"url\":\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922\",\"name\":\"Si, Wei-Jie's team published research in New Journal of Chemistry in 2019 | CAS: 769132-77-6 | pyrazoles-derivatives\",\"isPartOf\":{\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#website\"},\"datePublished\":\"2022-11-09T20:21:56+00:00\",\"author\":{\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\"},\"description\":\"Si, Wei-Jie published the artcileDesign, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety, Synthetic Route of 769132-77-6, the main research area is pyrazole carboxamide niacinamide benzimidazole preparation antifungal; quant structure activity relationship.\",\"breadcrumb\":{\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/?p=10922#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"\u9996\u9875\",\"item\":\"http:\/\/www.pyrazoles-derivatives.com\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Si, Wei-Jie’s team published research in New Journal of Chemistry in 2019 | CAS: 769132-77-6\"}]},{\"@type\":\"WebSite\",\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#website\",\"url\":\"http:\/\/www.pyrazoles-derivatives.com\/\",\"name\":\"pyrazoles-derivatives\",\"description\":\"Several pyrazole derivatives possess important pharmacological activities and they have been proved useful materials in drug research. 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