5-(trifluoromethyl)benzofuran-2-carboxylic acid | 531524-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-(trifluoromethyl)benzofuran-2-carboxylic acid
• 英文别名: 5-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
• CAS: 531524-04-6
• 化学式: C₁₀H₅F₃O₃
• 分子量: 230.143
• InChiKey: MVNJVJRMGOAALM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(trifluoromethyl)benzofuran-2-carboxylic acid 生成 ((S)-2-(Diethylaminomethyl)pyrrolidin-1-yl)-(5-(trifluoromethyl)benzofuran-2-yl)methanone
  参考文献：
  名称：

  Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes

  摘要：

  氨基烷基取代的氮杂环戊烷、吡咯烷、哌啶和环庚烷的新型酰胺，以这些化合物作为药物组合物的用途，包含这些化合物的药物组合物，以及使用这些化合物和组合物进行治疗的方法。这些化合物显示出高度和选择性地结合到组胺H3受体，表明具有组胺H3受体拮抗、逆拮抗或激动活性。因此，这些化合物可用于治疗与组胺H3受体相关的疾病和疾病。

  公开号：

  US20030195190A1
• 作为产物：
  描述：

  ethyl 5-(trifluoromethyl)benzofuran-2-carboxylate 在 lithium hydroxide 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 5-(trifluoromethyl)benzofuran-2-carboxylic acid
  参考文献：
  名称：

  Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes

  摘要：

  氨基烷基取代的氮杂环戊烷、吡咯烷、哌啶和环庚烷的新型酰胺，以这些化合物作为药物组合物的用途，包含这些化合物的药物组合物，以及使用这些化合物和组合物进行治疗的方法。这些化合物显示出高度和选择性地结合到组胺H3受体，表明具有组胺H3受体拮抗、逆拮抗或激动活性。因此，这些化合物可用于治疗与组胺H3受体相关的疾病和疾病。

  公开号：

  US20030195190A1

文献信息

• METHOD FOR PROMOTING PLANT GROWTH
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150289512A1

  公开（公告）日：2015-10-15

  The present invention provides a method for promoting plant growth, which comprises treating a plant with at least one compound represented by the following Formula (1) The compounds indicated by formula (1) are used to promote the growth of plants. A plant seed resulting from treating with the compound represented by formula (1) and comprising an effective quantity of the compound represented by formula (1). A composition for promoting plant growth comprising the compound represented by formula (1) and an inactive ingredient.

  本发明提供了一种促进植物生长的方法，包括使用至少一种由以下式（1）表示的化合物处理植物。由式（1）表示的化合物被用于促进植物生长。经由使用由式（1）表示的化合物处理而得到的植物种子，含有由式（1）表示的化合物的有效量。促进植物生长的组合物包括由式（1）表示的化合物和一种无活性成分。
• 縮合複素環化合物及び有害生物防除剤
  申请人：日産化学工業株式会社

  公开号：JP2017186327A

  公开（公告）日：2017-10-12

  【課題】優れた有害生物防除活性を有する新規化合物の提供。【解決手段】下記式（１−１）に代表される、ベンゾフリル基で置換されたイミダゾピリジン系化合物。［Ａ１ａはアルキル基等；Ａ４及びＡ５は一方がＮ、他方がＣＲ等；Ｒ１はアルキル基等；Ｒ、Ｒ２、Ｒ３、Ｙ１、Ｙ２、Ｙ３及びＹ４は、各々独立してＨ、ハロゲン、置換可アルキル基、置換可フェニル基等；ｎは０、１又は２の整数。］【選択図】なし

  【问题】提供具有优良的有害生物防治活性的新化合物。 【解决方案】以下式（1-1）为代表的，以苯并咪唑啉系化合物为取代基的化合物。[A1a为烷基等；A4和A5为一方为N，另一方为CR等；R1为烷基等；R、R2、R3、Y1、Y2、Y3和Y4各自独立地为H、卤素、取代可烷基、取代可苯基等；n为0、1或2的整数。][选择图]无。
• [EN] AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES<br/>[FR] AMIDES D'AZETIDINES, DE PYRROLIDINES, DE PIPERIDINES ET D'AZEPANES AMINOALKYLE SUBSTITUES
  申请人：NOVO NORDISK AS

  公开号：WO2003064411A1

  公开（公告）日：2003-08-07

  Novel amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes, use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds, and a method of treatment employing these compounds and compositions. The compounds show a high and selective binding affinity to the histamine H3 receptor indicating histamine H3 receptor antagonistic, inverse agonistic or agonistic activity. As a result, the compounds are useful for the treatment of diseases and disorders related to the histamine H3 receptor.

  这段话的中文翻译如下： 新型的氨基烷基取代的氮杂环化合物酰胺，包括氮杂环丙烷、吡咯烷、哌啶和氮杂环庚烷的酰胺，这些化合物作为制药组合物的使用，包括这些化合物的制药组合物，以及使用这些化合物和组合物的治疗方法。这些化合物具有高度和选择性的对组胺H3受体的结合亲和力，表明它们具有组胺H3受体拮抗、反向激动剂或激动剂活性。因此，这些化合物对于治疗与组胺H3受体相关的疾病和障碍非常有用。
• Use of Osmotic Pumps to Establish the Pharmacokinetic–Pharmacodynamic Relationship and Define Desirable Human Performance Characteristics for Aggrecanase Inhibitors
  作者：Michael R. Wiley、Timothy B. Durham、Lisa A. Adams、Mark G. Chambers、Chaohua Lin、Chin Liu、Jothirajah Marimuthu、Peter G. Mitchell、Daniel R. Mudra、Craig A. Swearingen、James L. Toth、Jennifer M. Weller、Kannan Thirunavukkarasu

  DOI：10.1021/acs.jmedchem.6b00398

  日期：2016.6.23

  The development of reliable relationships between in vivo target engagement, pharmacodynamic activity, and efficacy in chronic disease models is beneficial for enabling hypothesis-driven drug discovery and facilitating the development of patient-focused candidate selection criteria. Toward those ends, osmotic infusion pumps can be useful for overcoming limitations in the PK properties of proof-of-concept (POC) compounds to accelerate the development of such relationships. In this report, we describe the application of this strategy to the development of hydantoin-derived aggrecanase inhibitors (eg, 3) for the treatment of osteoarthiritis (OA). Potent, selective inhibitors were efficacious in both chemical and surgical models of OA when exposures were sustained in excess of 10 times the plasma IC50. The use of these data for establishing patient-focused candidate selection criteria is exemplified with the characterization of compound 8, which is projected to sustain the desired level of target engagement at a dose of 45 mg qd.
• Identification of Potent and Selective Hydantoin Inhibitors of Aggrecanase-1 and Aggrecanase-2 That Are Efficacious in Both Chemical and Surgical Models of Osteoarthritis
  作者：Timothy B. Durham、Valentine J. Klimkowski、Christopher J. Rito、Jothirajah Marimuthu、James L. Toth、Chin Liu、Jim D. Durbin、Stephanie L. Stout、Lisa Adams、Craig Swearingen、Chaohua Lin、Mark G. Chambers、Kannan Thirunavukkarasu、Michael R. Wiley

  DOI：10.1021/jm501522n

  日期：2014.12.26

  A disintegrin and metalloproteinase with thrombospondin motifs-4 (ADAMTS-4) and ADAMTS-5 are zinc metalloproteases commonly referred to as aggrecanase-1 and aggrecanase-2, respectively. These enzymes are involved in the degradation of aggrecan, a key component of cartilage. Inhibitors of these enzymes could be potential osteoarthritis (OA) therapies. A series of hydantoin inhibitors of ADAMTS-4 and ADAMTS-5 were identified from a screening campaign and optimized through structure-based drug design to give hydantoin 13. Hydantoin 13 had excellent selectivity over other zinc metalloproteases such as TACE, MMP2, MMP3, MMP13, and MMP14. The compound also produced efficacy in both a chemically induced and surgical model of OA in rats.