3-((2-hydroxyethyl)methylamino)benzonitrile | 643087-34-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-((2-hydroxyethyl)methylamino)benzonitrile
• 英文别名: 3-[N-(2-hydroxyethyl)-N-methylamino]benzonitrile；3-(N-2-hydroxyethyl-N-methylamino)-benzonitrile；3-(N-2-hydroxyethyl-N-methylamino)benzonitrile；3-[2-hydroxyethyl(methyl)amino]benzonitrile
• CAS: 643087-34-7
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: MCZILBVOPBHNCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-((2-hydroxyethyl)methylamino)benzonitrile 在 吡啶 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 23.05h， 生成 3-(methyl(2-(4-(3-trifluoromethylphenyl)piperazin-1-yl)ethyl)amino)benzonitrile
  参考文献：
  名称：

  3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS

  摘要：

  本发明公开了一种3-氰基苯胺烷基芳基哌嗪衍生物及其在制备药物中的应用；本发明公开的3-氰基苯胺烷基芳基哌嗪衍生物具有非常有用的药理特性和良好的耐受性，特别是作为新型镇痛药、新型抗抑郁药和新型镇痛抗抑郁药的用途。这类化合物是中枢镇痛剂，调节5-羟色胺，同时也是新型抗抑郁药，调节5-羟色胺。这类化合物还具有较小的毒性和副作用，安全范围更高。3-氰基苯胺烷基芳基哌嗪衍生物是一种化合物，其化学式为（III）或其游离碱或盐形式：

  公开号：

  US20150105399A1
• 作为产物：
  描述：

  间氨基苯甲腈 在 sodium methylate 、 calcium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 19.33h， 生成 3-((2-hydroxyethyl)methylamino)benzonitrile
  参考文献：
  名称：

  3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS

  摘要：

  本发明公开了一种3-氰基苯胺烷基芳基哌嗪衍生物及其在制备药物中的应用；本发明公开的3-氰基苯胺烷基芳基哌嗪衍生物具有非常有用的药理特性和良好的耐受性，特别是作为新型镇痛药、新型抗抑郁药和新型镇痛抗抑郁药的用途。这类化合物是中枢镇痛剂，调节5-羟色胺，同时也是新型抗抑郁药，调节5-羟色胺。这类化合物还具有较小的毒性和副作用，安全范围更高。3-氰基苯胺烷基芳基哌嗪衍生物是一种化合物，其化学式为（III）或其游离碱或盐形式：

  公开号：

  US20150105399A1

文献信息

• Diaminopyrimidinecarboxa mide derivative
  申请人：Nagashima Shinya

  公开号：US20050272753A1

  公开（公告）日：2005-12-08

  A compound which may be used for the prevention or treatment of respiratory diseases in which STAT 6 is concerned, particularly asthma, chronic obstructive pulmonary disease and the like is provided. A pyrimidine derivative or a salt thereof, which has an arylamino or arylethylamino group which may be substituted with a specified substituent, at the 2-position, amino group substituted with benzyl group or the like, at the 4-position, and carbamoyl group which may be substituted, at the 5-position, is provided.

  提供了一种可用于预防或治疗呼吸道疾病，特别是哮喘、慢性阻塞性肺病等与STAT 6有关的化合物。该化合物是一种嘧啶衍生物或其盐，其在2位具有可以被指定取代基取代的芳基氨基或芳基乙基氨基，4位具有被苄基基团或类似基团取代的氨基，5位具有可以被取代的氨基甲酰基。
• Diaminopyrimidinecarboxamide Derivative
  申请人：Nagashima Shinya

  公开号：US20090281072A1

  公开（公告）日：2009-11-12

  A compound which may be used for the prevention or treatment of respiratory diseases in which STAT 6 is concerned, particularly asthma, chronic obstructive pulmonary disease and the like is provided. A pyrimidine derivative or a salt thereof, which has an arylamino or arylethylamino group which may be substituted with a specified substituent, at the 2-position, amino group substituted with benzyl group or the like, at the 4-position, and carbamoyl group which may be substituted, at the 5-position, is provided.

  提供了一种可用于预防或治疗呼吸系统疾病，特别是哮喘、慢性阻塞性肺疾病等与STAT 6有关的化合物。该化合物为嘧啶衍生物或其盐，其在2位具有可被取代的芳基氨基或芳基乙基氨基基团，4位具有氨基取代的苯甲基基团或类似基团，5位具有可被取代的氨基甲酰基团。
• DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE
  申请人：Nagashima Shinya

  公开号：US20110294749A1

  公开（公告）日：2011-12-01

  A compound which may be used for the prevention or treatment of respiratory diseases in which STAT 6 is concerned, particularly asthma, chronic obstructive pulmonary disease and the like is provided. A pyrimidine derivative or a salt thereof, which has an arylamino or arylethylamino group which may be substituted with a specified substituent, at the 2-position, amino group substituted with benzyl group or the like, at the 4-position, and carbamoyl group which may be substituted, at the 5-position, is provided.

  提供了一种可用于预防或治疗涉及STAT 6的呼吸系统疾病，特别是哮喘、慢性阻塞性肺疾病等的化合物。该化合物为嘧啶衍生物或其盐，其在2位具有可以被指定取代基取代的芳基氨基或芳基乙基氨基基团，在4位具有可以被苄基或类似物取代的氨基基团，并在5位具有可以被取代的氨基甲酰基团。
• Diaminopyrimidinecarboxamide derivative
  申请人：Astellas Pharma, Inc.

  公开号：US07449456B2

  公开（公告）日：2008-11-11

  A compound which may be used for the prevention or treatment of respiratory diseases in which STAT 6 is concerned, particularly asthma, chronic obstructive pulmonary disease and the like is provided. A pyrimidine derivative or a salt thereof, which has an arylamino or arylethylamino group which may be substituted with a specified substituent, at the 2-position, amino group substituted with benzyl group or the like, at the 4-position, and carbamoyl group which may be substituted, at the 5-position, is provided.

  提供一种化合物，可用于预防或治疗涉及STAT 6的呼吸系统疾病，特别是哮喘、慢性阻塞性肺疾病等。该化合物是一种嘧啶衍生物或其盐，其在2位具有可以被指定取代基取代的芳基氨基或芳基乙基氨基，4位上具有被苯甲基等基团取代的氨基，5位上具有可以被取代的氨基甲酰基。
• 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs
  申请人：NHWA Pharma. Corporation

  公开号：US09238632B2

  公开（公告）日：2016-01-19

  Disclosed in the present invention is a 3-cyanoanilinoalkylarylpiperazine derivatives and use thereof in preparing drugs; the 3-cyanoanilinoalkylarylpiperazine derivatives disclosed by the present invention has very useful pharmaceutical properties and good tolerance, especially the use as novel analgesic drugs, novel antidepressants, and novel analgesic and antidepressive drugs. This class of compounds are central analgesics regulating 5-hydroxytrptamine, and also are novel antidepressants regulating 5-hydroxytrptamine. This class of compounds also has less toxic and side effects and a higher safety range. The 3-cyanoanilinoalkylarylpiperazine derivative is a compound shown as formula (III) or free base or salt thereof:

  本发明公开了一种3-氰基苯胺基烷基芳基哌嗪衍生物及其在制备药物中的应用；本发明所公开的3-氰基苯胺基烷基芳基哌嗪衍生物具有非常有用的药理特性和良好的耐受性，特别是作为新型镇痛药物、新型抗抑郁药物和新型镇痛和抗抑郁药物的用途。这类化合物是调节5-羟色胺的中枢镇痛剂，也是调节5-羟色胺的新型抗抑郁剂。这类化合物还具有较低的毒性和副作用以及更高的安全范围。3-氰基苯胺基烷基芳基哌嗪衍生物是一种化合物，其化学式为（III）或其自由碱基或盐：