5-bromo-2-(pyridin-4-yl)-1H-indole | 906776-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-bromo-2-(pyridin-4-yl)-1H-indole
• 英文别名: 5-Bromo-2-(pyridin-4-yl)-1H-indole；5-bromo-2-pyridin-4-yl-1H-indole
• CAS: 906776-79-2
• 化学式: C₁₃H₉BrN₂
• 分子量: 273.132
• InChiKey: YDNCKIWPRDQNBC-UHFFFAOYSA-N

物化性质

• 沸点：
  454.9±30.0 °C(Predicted)
• 密度：
  1.546±0.06 g/cm3(Predicted)

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：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-bromo-2-(pyridin-4-yl)-1H-indole 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 5.0h， 生成 5-(isoxazol-4-yl)-2-(pyridin-4-yl)-1H-indole-3-carbonitrile
  参考文献：
  名称：

  Synthesis of 2,5-disubstituted-3-cyanoindoles

  摘要：

  An efficient synthesis of 2,5-disubstituted-3-cyanoindoles is described. This approach utilizes a highly selective iodination together with the modified Made lung reaction to generate an intermediate which can be readily transformed to more fully elaborated 2,5-disubstituted-3-cyanoindole templates that were previously difficult to access. Detailed examples and utility of this approach are presented herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.009
• 作为产物：
  描述：

  4-乙炔基吡啶 在 N-甲基吡咯烷酮 、 bis-triphenylphosphine-palladium(II) chloride 、 potassium tert-butylate 、 三乙胺 作用下， 生成 5-bromo-2-(pyridin-4-yl)-1H-indole
  参考文献：
  名称：

  Synthesis of 2,5-disubstituted-3-cyanoindoles

  摘要：

  An efficient synthesis of 2,5-disubstituted-3-cyanoindoles is described. This approach utilizes a highly selective iodination together with the modified Made lung reaction to generate an intermediate which can be readily transformed to more fully elaborated 2,5-disubstituted-3-cyanoindole templates that were previously difficult to access. Detailed examples and utility of this approach are presented herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.009

文献信息

• NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS
  申请人：GenKyoTex Suisse SA

  公开号：EP3628669A1

  公开（公告）日：2020-04-01

  The present invention is related to new compounds, pharmaceutical composition thereof and to their use for the treatment and/or prophylaxis of disorders or conditions related to Nicotinamide adenine dinucleotide phosphate oxidase (NADPH Oxidase).

  这项发明涉及新化合物，其药物组成以及它们用于治疗和/或预防与烟酰胺腺嘌呤二核苷酸磷酸氧化酶（NADPH氧化酶）相关的疾病或症状。
• [EN] COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE ASSOCIATED DISEASE<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT D'UNE MALADIE ASSOCIÉE À CLOSTRIDIUM
  申请人：SUMMIT CORP PLC

  公开号：WO2011151619A1

  公开（公告）日：2011-12-08

  Disclosed are compounds of formula (I): or a pharmaceutically acceptable N-oxide, salt, hydrate, solvate, complex, bioisostere, metabolite or prodrug thereof, which are of use in the treatment of infection with, and diseases caused by, Clostridium difficile.

  公开了以下式（I）的化合物：或其药用可接受的N-氧化物、盐、水合物、溶剂合物、复合物、生物同位素、代谢物或前药，用于治疗由难辨梭菌感染引起的疾病。
• [EN] NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA NADPH OXYDASE
  申请人：GENKYOTEX SUISSE SA

  公开号：WO2020065048A1

  公开（公告）日：2020-04-02

  The present invention is related to new compounds, pharmaceutical composition thereof and to their use for the treatment and/or prophylaxis of disorders or conditions related to Nicotinamide adenine dinucleotide phosphate oxidase (NADPH Oxidase). Formula (I).
• Synthesis of 2,5-disubstituted-3-cyanoindoles
  作者：Mark A. Bobko、Karen A. Evans、Arun C. Kaura、Leanna E. Shuster、Dai-Shi Su

  DOI：10.1016/j.tetlet.2011.11.009

  日期：2012.1

  An efficient synthesis of 2,5-disubstituted-3-cyanoindoles is described. This approach utilizes a highly selective iodination together with the modified Made lung reaction to generate an intermediate which can be readily transformed to more fully elaborated 2,5-disubstituted-3-cyanoindole templates that were previously difficult to access. Detailed examples and utility of this approach are presented herein. (C) 2011 Elsevier Ltd. All rights reserved.