{"id":9279,"date":"2022-02-15T07:00:56","date_gmt":"2022-02-14T23:00:56","guid":{"rendered":"https:\/\/www.pyrazoles-derivatives.com\/?p=9279"},"modified":"2022-02-15T07:00:56","modified_gmt":"2022-02-14T23:00:56","slug":"downstream-synthetic-route-of-c5h8n2-6","status":"publish","type":"post","link":"https:\/\/www.pyrazoles-derivatives.com\/?p=9279","title":{"rendered":"Downstream Synthetic Route Of C5H8N2"},"content":{"rendered":"<p>Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. <a href=\"https:\/\/www.ambeed.com\/products\/67-51-6.html\">COA of Formula: C5H8N2<\/a>. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole<\/p>\n<p>In the process of research and development of new drugs, in silico analyzes are widely used. They address the pharmacokinetics of the molecules in study and can predict the binding mode and affinity, using a docking software. This approach can optimize the development of new drugs, reducing costs, time, and resources. In this study, a library of 300 pyrazole-chalcone derivatives were designed, the in silico ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties were evaluated, and a structure-based virtual screening was performed using AutoDock Vina. The docking results exhibited that the derivatives binding mode at the COX-2 active site is similar to celecoxib, the reference drug, and presented similar binding energy. Six compounds were synthetized and tested for in vitro inhibition of the COX-1 and COX-2 isoenzymes and the selectivity index (SI) was calculated. The compound 2a11 showed the best activity for COX-2 (IC50COX-2=0.73M) whereas the control, celecoxib, resulted IC50COX-2=0.88M. All the other compounds synthetized presented better potency for COX-2 inhibition than the control. Compound 2a23 exhibited the higher SI, of 280.17 (IC50COX-1=210.13M\/ IC50COX-2=0.75M), while celecoxib was 246.88 (IC50COX-1=217.26M\/ IC50COX-2=0.88M). These results corroborate with a possible anti-inflammatory activity and COX-2 selectivity of the new compounds synthetized.<\/p>\n<p>Welcome to talk about 67-51-6, If you have any questions, you can contact Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R or send Email.. <a href=\"https:\/\/www.ambeed.com\/products\/67-51-6.html\">COA of Formula: C5H8N2<\/a><\/p>\n<p>Reference:<br \/><a href=\"https:\/\/en.wikipedia.org\/wiki\/Pyrazole\">Pyrazole &#8211; Wikipedia<\/a>,<br \/>,<a href=\"https:\/\/www.sciencedirect.com\/topics\/chemistry\/pyrazoles\">Pyrazoles &#8211; an overview | ScienceDirect Topics<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Welcome to talk about 67-51-6, If you have any questions, you can contact Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R or send Email.. <a href=\"https:\/\/www.ambeed.com\/products\/67-51-6.html\">COA of Formula: C5H8N2<\/a><\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[249,131],"tags":[145],"class_list":["post-9279","post","type-post","status-publish","format-standard","hentry","category-67-51-6","category-pyrazoles-derivatives","tag-m-w0-100"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v24.9 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Downstream Synthetic Route Of C5H8N2 | pyrazoles-derivatives<\/title>\n<meta name=\"description\" content=\"Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.pyrazoles-derivatives.com\/?p=9279\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Downstream Synthetic Route Of C5H8N2 | pyrazoles-derivatives\" \/>\n<meta property=\"og:description\" content=\"Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.pyrazoles-derivatives.com\/?p=9279\" \/>\n<meta property=\"og:site_name\" content=\"pyrazoles-derivatives\" \/>\n<meta property=\"article:published_time\" content=\"2022-02-14T23:00:56+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=\"2 minutes\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/?p=9279\",\"url\":\"https:\/\/www.pyrazoles-derivatives.com\/?p=9279\",\"name\":\"Downstream Synthetic Route Of C5H8N2 | pyrazoles-derivatives\",\"isPartOf\":{\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#website\"},\"datePublished\":\"2022-02-14T23:00:56+00:00\",\"author\":{\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\"},\"description\":\"Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. 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Pyrazole derivatives play an important role in antitumor agents.\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.pyrazoles-derivatives.com\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\",\"name\":\"Jessica.F\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/en.cravatar.com\/avatar\/2d1cec2a99eeaad5a5b217c9cdbfb610?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/en.cravatar.com\/avatar\/2d1cec2a99eeaad5a5b217c9cdbfb610?s=96&d=mm&r=g\",\"caption\":\"Jessica.F\"}}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Downstream Synthetic Route Of C5H8N2 | pyrazoles-derivatives","description":"Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.pyrazoles-derivatives.com\/?p=9279","og_locale":"en_US","og_type":"article","og_title":"Downstream Synthetic Route Of C5H8N2 | pyrazoles-derivatives","og_description":"Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole","og_url":"https:\/\/www.pyrazoles-derivatives.com\/?p=9279","og_site_name":"pyrazoles-derivatives","article_published_time":"2022-02-14T23:00:56+00:00","author":"Jessica.F","twitter_card":"summary_large_image","twitter_misc":{"Written by":"Jessica.F","Est. reading time":"2 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/www.pyrazoles-derivatives.com\/?p=9279","url":"https:\/\/www.pyrazoles-derivatives.com\/?p=9279","name":"Downstream Synthetic Route Of C5H8N2 | pyrazoles-derivatives","isPartOf":{"@id":"https:\/\/www.pyrazoles-derivatives.com\/#website"},"datePublished":"2022-02-14T23:00:56+00:00","author":{"@id":"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1"},"description":"Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. 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