4-[3-(4-piperidinyl)propoxy]benzonitrile | 873546-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[3-(4-piperidinyl)propoxy]benzonitrile
• 英文别名: 4-(3-(piperidin-4-yl)propoxy)benzonitrile；4-(3-piperidin-4-ylpropoxy)benzonitrile
• CAS: 873546-79-3
• 化学式: C₁₅H₂₀N₂O
• 分子量: 244.337
• InChiKey: KZKGFZBRBRVGSH-UHFFFAOYSA-N

物化性质

• 沸点：
  404.0±15.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  45
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[3-(4-piperidinyl)propoxy]benzonitrile 在 盐酸 、 ammonium acetate 、 potassium carbonate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 45.75h， 生成 4-{3-[4-(3-{4-[amino(imino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}benzamidine
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION

  摘要：

  公开号：

  EP1867332B1
• 作为产物：
  描述：

  N-BOC-4-(3-羟丙基)-哌啶 在 四溴化碳 、 potassium carbonate 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 氯仿 、 水 、 二甲基亚砜 为溶剂， 反应 42.8h， 生成 4-[3-(4-piperidinyl)propoxy]benzonitrile
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION

  摘要：

  公开号：

  EP1867332B1

文献信息

• Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These
  申请人：Hayashi Kazuya

  公开号：US20080319016A1

  公开（公告）日：2008-12-25

  An arylamidine derivative represented by the general formula (wherein R 1 represents optionally protected or substituted amidino; and R 2 and R 3 are the same or different and each represents hydrogen or halogeno) or a salt of the derivative. The derivative and salt have potent activity against fungi including ones having tolerance to azole type drugs and further have high safety and excellent properties in a repeated dose toxicity test. They are hence useful as an excellent antifungal.

  一种芳基脲衍生物，其通式表示为（其中R1表示可选择性保护或取代的酰胺基; R2和R3相同或不同，每个表示氢或卤素），或其衍生物的盐。该衍生物和盐对真菌具有强效活性，包括对azole类药物具有耐受性的真菌，并且在重复剂量毒性测试中具有高安全性和优异性能。因此，它们可用作优秀的抗真菌剂。
• Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound
  申请人：Ishii Takahiro

  公开号：US20100009971A1

  公开（公告）日：2010-01-14

  A novel pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound or its pharmaceutically acceptable salt has a potent FAAH-inhibitory activity. Further, the pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound of the present disclosure is also useful in the treatment of urinary frequency and urinary incontinence, overactive bladder and/or pain.

  一种新型的吡啶基非芳香性含氮杂环-1-羧酸酯化合物或其药学上可接受的盐具有强效的FAAH抑制活性。此外，本公开的吡啶基非芳香性含氮杂环-1-羧酸酯化合物也可用于治疗尿频、尿失禁、过度活跃的膀胱和/或疼痛。
• NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE
  申请人：Hayashi Kazuya

  公开号：US20100016602A1

  公开（公告）日：2010-01-21

  Disclosed is an arylamidine derivative represented by the following general formula: (wherein R 1 and R 2 independently represent an optionally substituted C 3-4 alkyl group) or a salt thereof, which is useful as an antifungal agent.

  本发明公开了一种芳基脲衍生物，其通式如下：（其中，R1和R2独立地表示可选取代的C3-4烷基基团）或其盐，其作为一种抗真菌剂具有用途。
• Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative
  申请人：Ishii Takahiro

  公开号：US20080306046A1

  公开（公告）日：2008-12-11

  [Problem] To provide a compound usable for treatment of diseases associated with fatty acid amide hydrolase (FAAH), especially for treatment of urinary frequency and urinary incontinence, overactive bladder and/or pain. [Means for Solution] We have found that a novel pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate derivative and its pharmaceutically acceptable salt has a potent FAAH-inhibitory activity. Further, the pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate derivative of the present invention has an excellent effect for increasing an effective bladder capacity, an excellent effect for relieving urinary frequency and an excellent anti-allodynia effect, and is therefore usable for treatment of urinary frequency and urinary incontinence, overactive bladder and/or pain.

  [问题] 提供一种可用于治疗与脂肪酸酰胺水解酶（FAAH）相关的疾病的化合物，特别是用于治疗尿频和尿失禁、过度活跃的膀胱和/或疼痛。 [解决方法] 我们发现一种新型的吡啶基非芳香性含氮杂环-1-羧酸酯衍生物及其药学上可接受的盐具有强效的FAAH抑制活性。此外，本发明的吡啶基非芳香性含氮杂环-1-羧酸酯衍生物具有优异的增加有效膀胱容量的效果，优异的缓解尿频的效果和优异的抗痛觉过敏效果，因此可用于治疗尿频和尿失禁、过度活跃的膀胱和/或疼痛。
• Pharmaceutical composition and method using antifungal agent in combination
  申请人：Nomura Nobuhiko

  公开号：US08993603B2

  公开（公告）日：2015-03-31

  A pharmaceutical composition containing one or more antifungal agents selected from an arylamidine derivative represented by the general formula: (wherein R1 represents an amidino group that may be substituted with a hydroxyl group that may be protected with an acyl group, an amidino group that may be substituted with an alkoxy group that may be substituted, or an amidino group that may be substituted with an aralkyloxy group that may be substituted; R2 and R3 identically or differently represent a hydrogen atom or a halogen atom) or a salt thereof, an azole antifungal agent, a polyene antifungal agent, a candin antifungal agent and a fluoropyrimidine antifungal agent has a strong antifungal activity and is useful for the treatment of fungal infection. A method for using them in combination is useful as an excellent therapeutic method for fungal infection. A pharmaceutical composition containing the arylamidine derivative represented by the above general formula or a salt thereof and an immunosuppressant has a strong antifungal activity and is useful for the treatment of fungal infection and a skin disease such as atopic dermatitis. A method for using them in combination is useful as an excellent therapeutic method for fungal infection and a skin disease such as atopic dermatitis.

  一种药物组合物，包含一种或多种抗真菌剂，所述抗真菌剂选自以下通式所表示的芳基脲衍生物中的一种：（其中，R1代表一种羧酸基保护的羟基取代的氨基甲烷基，一种取代的烷氧基的氨基甲烷基，或一种取代的芳基烷氧基的氨基甲烷基；R2和R3相同或不同，分别代表氢原子或卤原子）或其盐，一种咪唑类抗真菌剂、一种多烯类抗真菌剂、一种卡丁抗真菌剂和一种氟嘧啶抗真菌剂。该药物组合物具有强烈的抗真菌活性，适用于治疗真菌感染。使用它们的方法作为真菌感染的优秀治疗方法。一种药物组合物，包含上述通式所表示的芳基脲衍生物或其盐和一种免疫抑制剂，具有强烈的抗真菌活性，适用于治疗真菌感染和皮肤病，如特应性皮炎。使用它们的方法作为真菌感染和皮肤病，如特应性皮炎的优秀治疗方法。