4-(4-Chlorphenyl)-3-ethyl-1-(4-fluorphenyl)-pyrazol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Chlorphenyl)-3-ethyl-1-(4-fluorphenyl)-pyrazol
• 英文别名: 4-(4-Chlorophenyl)-3-ethyl-1-(4-fluorophenyl)pyrazole
• 化学式: C₁₇H₁₄ClFN₂
• 分子量: 300.763
• InChiKey: YPXSHPJIXAQCLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吡拉唑酸 生成 4-(4-Chlorphenyl)-3-ethyl-1-(4-fluorphenyl)-pyrazol
  参考文献：
  名称：

  BIERE, H.;BOETTCHER, I.;KAPP, J. -F., ARCH. PHARM., 1983, 316, N 7, 588-597

  摘要：

  DOI：

文献信息

• Nichtsteroidale Entzündungshemmer, 10. Mitt.1) Antiphlogistische Pyrazolderivate, II2)
  作者：Helmut Biere、Irmgard Böttcher、Joachim-Friedrich Kapp

  DOI：10.1002/ardp.19833160704

  日期：——

  Molekülvarianten der klinischen Prüfverbindung 1f (Pirazolac) mit verändertem Substituenten in Position 3 am Pyrazolring wurden dargestellt. Die Testergebnisse dieser Verbindungen in Entzündungsmodellen (Ratte) werden diskutiert. Im Zusammenhang mit den in einer folgenden Mitt. beschriebenen Resultaten ermöglichen sie einen wichtigen Einblick in die Struktur‐Aktivitätsbeziehung.

  显示了临床试验化合物 1f（吡唑酸）的分子变体，在吡唑环上的 3 位具有改变的取代基。讨论了这些化合物在炎症模型（大鼠）中的测试结果。结合以下交流中描述的结果，它们提供了对结构-活性关系的重要洞察。
• Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof
  申请人：Del Soldato Piero

  公开号：US20070112194A1

  公开（公告）日：2007-05-17

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of a drug and R1-R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备通式（A）化合物的方法，如描述中所述，其中R为药物的基团，R1-R12为氢或烷基，m、n、o、q、r和s各自独立地为0到6的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环基，该方法包括将通式（B）R-COOZ（B）化合物与通式（C）所述的化合物反应，其中R和Z如上定义，Z为氢或选择自Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐的阳离子，通式（C）中R1-R12和m、n、o、p、q、r、s如上定义，Y为适当的离去基。
• ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Garvey David S.

  公开号：US20090048219A1

  公开（公告）日：2009-02-19

  The invention describes novel organic nitric oxide enhancing salts of nonsteroidal antiinflammatory drugs (NSAIDs) and novel compositions comprising at least one organic nitric oxide enhancing salt of an NSAID, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one organic nitric oxide enhancing salt of an NSAID, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating inflammation, pain and fever; (b) treating gastrointestinal disorders; (c) facilitating wound healing; (d) treating gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; (e) treating inflammatory disease states and/or disorders; (f) treating ophthalmic disorders; (h) treating peripheral vascular diseases; (i) treating diseases resulting from oxidative stress; (j) treating endothelial dysfunctions; and (k) treating diseases caused by endothelial dysfunctions. The organic nitric oxide enhancing compounds that form salts with the NSAIDs are organic nitrates, organic nitrites, nitrosothiols, thionitrites, thionitrates, NONOates, heterocyclic nitric oxide donors and/or nitroxides. The heterocyclic nitric oxide donors are furoxans, sydnonimines, oxatriazole-5-ones and/or oxatriazole-5-imines.
• US7723382B2
  申请人：——

  公开号：US7723382B2

  公开（公告）日：2010-05-25
• [EN] PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE<br/>[FR] PROCÉDÉ POUR PRÉPARER DU MONONITRATE DE 1,4-BUTANEDIOL
  申请人：NICOX SA

  公开号：WO2009000723A1

  公开（公告）日：2008-12-31

  [EN] The present invention relates to a process for the preparation of 1,4-butanediol mononitrate as intermediate for large scale preparation of high purity nitrooxybutyl ester of pharmaceutically active compounds.
  [FR] La présente invention concerne un procédé de préparation de mononitrate de 1,4-butanediol en tant qu'intermédiaire pour la préparation à grande échelle d'ester nitrooxybutylique de composés pharmaceutiquement actifs de pureté élevée.