4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoic acid | 477721-17-8

• 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: 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoic acid
• 英文别名: UP9V9DB2RD；4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoic acid
• CAS: 477721-17-8
• 化学式: C₂₃H₂₇N₃O₃
• 分子量: 393.486
• InChiKey: BTPZYVRIMMADTM-UHFFFAOYSA-N

物化性质

• 沸点：
  628.3±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  87.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoic acid 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.5h， 生成 sodium 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoate
  参考文献：
  名称：

  EP1391452

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoate 在 potassium trimethylsilonate 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoic acid
  参考文献：
  名称：

  EP1391452

  摘要：

  公开号：

文献信息

• Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient
  申请人：Akada Yasushige

  公开号：US20060040985A1

  公开（公告）日：2006-02-23

  An agent for preventing/treating respiratory diseases contains, as an active ingredient, a compound represented by following Formula (I): wherein A is a group represented by L-W [wherein L is a bond or CH 2 ; and W is O, SOn (wherein n is 0 to 2), or —NR 7 — (wherein R 7 is hydrogen or lower alkyl)]; each of G 1 and G 2 is (CH 2 )r (wherein r is 0 to 2), provided that when n is 1, G 1 and G 2 may be bridged by lower alkylene; Y is a lower alkylene or (substituted) benzylidene; Z is a bond or O, provided that when Z is a bond, Y may form a 5- or 6-membered ring with carbon on the benzene ring; R 1 is, for example, NO 2 , a lower alkoxycarbonyl, (substituted) carbamoyl, (protected) hydroxyl group, (protected) carboxyl, or (protected) N-hydroxycarbamoyl; each of R 2 and R 3 is hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy or NO 2 ; each of R 4 and R 5 is, for example, hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy, CN, or lower alkylsulfonyl; and R 6 is hydrogen or lower alkyl, a salt thereof or a solvate of them. It has excellent antitussive activity when used as an agent for preventing/treating respiratory diseases such as lung cancer, common cold syndrome, pulmonary tuberculosis, pneumonia, acute bronchitis or chronic bronchitis.

  一种用于预防/治疗呼吸系统疾病的药剂，其活性成分为以下式(I)所表示的化合物：其中A是由L-W表示的基团[其中L是键或CH2; W是O，SO n（其中n为0至2），或—NR7—（其中R7是氢或较低烷基）]；G1和G2分别为(CH2)r（其中r为0至2），但当n为1时，G1和G2可以由较低的烷基桥接；Y是较低的烷基或（取代的）苯甲亚基；Z是键或O，但当Z为键时，Y可以与苯环上的碳形成5-或6-成员环；R1为NO2、较低的烷氧羰基、（取代的）氨基甲酰基、（保护的）羟基、（保护的）羧基或（保护的）N-羟基氨基甲酰基；R2和R3分别为氢、卤素、（卤代的）较低烷基、（卤代的）较低烷氧基或NO2；R4和R5分别为氢、卤素、（卤代的）较低烷基、（卤代的）较低烷氧基、CN或较低烷基磺酰基；R6为氢或较低烷基，其盐或溶剂也可以使用。当用作预防/治疗肺癌、普通感冒综合症、肺结核、肺炎、急性支气管炎或慢性支气管炎等呼吸系统疾病的药剂时，具有优异的止咳活性。
• 4-hydroxpiperdine derivative with analgetic activity
  申请人：——

  公开号：US20040176410A1

  公开（公告）日：2004-09-09

  A compound represented by the following Formula (I): 1 (wherein A represents oxygen atom or —NR 3 — (R 3 represents hydrogen atom or lower alkyl group); R 1 represents nitro group, lower alkoxycarbonyl group, carbamoyl group unsubstituted or mono- or di-substituted by lower alkyl group, unprotected or protected hydroxyl group, unprotected or protected carboxyl group, lower alkyl group substituted by unprotected or protected hydroxyl group, or tetrazolyl group; and R 2 represents hydrogen atom, cyano group or lower alkylsulfonyl group, provided that when A is —NR 3 —, it is excluded that R 1 represents unprotected or protected hydroxyl group or lower alkyl group substituted by unprotected or protected hydroxyl group) or its salt, and method for producing the compound, and a pharmaceutical composition containing the compound as active ingredient.

  以下为公式（I）所代表的化合物：1（其中A代表氧原子或-NR3-（R3代表氢原子或低碳基）；R1代表硝基、低碳酰氧基、未取代或单取代或二取代的低碳基卡巴莫基、未保护或保护的羟基、未保护或保护的羧基、低碳基取代的未保护或保护的羟基、或四唑基；R2代表氢原子、氰基或低烷基磺酰基，但当A为-NR3-时，不包括R1代表未保护或保护的羟基或低碳基取代的未保护或保护的羟基；以及制备该化合物的方法和包含该化合物作为活性成分的药物组合物。
• 4-hydroxypiperidine derivatives having analgesic activity
  申请人：Yamamoto Ichiro

  公开号：US06956046B2

  公开（公告）日：2005-10-18

  A compound represented by the following Formula (I): (wherein A represents oxygen atom or —NR 3 — (R 3 represents hydrogen atom or lower alkyl group); R 1 represents nitro group, lower alkoxycarbonyl group, carbamoyl group unsubstituted or mono- or di-substituted by lower alkyl group, unprotected or protected hydroxyl group, unprotected or protected carboxyl group, lower alkyl group substituted by unprotected or protected hydroxyl group, or tetrazolyl group; and R 2 represents hydrogen atom, cyano group or lower alkylsulfonyl group, provided that when A is —NR 3 —, it is excluded that R 1 represents unprotected or protected hydroxyl group or lower alkyl group substituted by unprotected or protected hydroxyl group) or its salt, and method for producing the compound, and a pharmaceutical composition containing the compound as active ingredient.

  以下是式子（I）所代表的化合物：（其中A代表氧原子或—NR3—（R3代表氢原子或较低的烷基）；R1代表硝基，较低的烷氧羰基，未被取代或被较低烷基单取代或双取代的羰酰胺基，未受保护或受保护的羟基，未受保护或受保护的羧基，被未受保护或受保护的羟基取代的较低烷基，或四唑基；R2代表氢原子，氰基或较低烷基磺酰基，但当A为—NR3—时，不包括R1代表未受保护或受保护的羟基或被未受保护或受保护的羟基取代的较低烷基）或其盐，并且制备该化合物的方法，以及含有该化合物作为活性成分的药物组合物。
• Agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US07494987B2

  公开（公告）日：2009-02-24

  An agent for preventing/treating respiratory diseases contains, as an active ingredient, a compound represented by following Formula (I): wherein A is a group represented by L-W [wherein L is a bond or CH2; and W is O, SOn (wherein n is 0 to 2), or —NR7— (wherein R7 is hydrogen or lower alkyl)]; each of G1 and G2 is (CH2)r (wherein r is 0 to 2), provided that when n is 1, G1 and G2 may be bridged by lower alkylene; Y is a lower alkylene or (substituted) benzylidene; Z is a bond or O, provided that when Z is a bond, Y may form a 5- or 6-membered ring with carbon on the benzene ring; R1 is, for example, NO2, a lower alkoxycarbonyl, (substituted) carbamoyl, (protected) hydroxyl group, (protected) carboxyl, or (protected) N-hydroxycarbamoyl; each of R2 and R3 is hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy or NO2; each of R4 and R5 is, for example, hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy, CN, or lower alkylsulfonyl; and R6 is hydrogen or lower alkyl, a salt thereof or a solvate of them. It has excellent antitussive activity when used as an agent for preventing/treating respiratory diseases such as lung cancer, common cold syndrome, pulmonary tuberculosis, pneumonia, acute bronchitis or chronic bronchitis.

  预防/治疗呼吸系统疾病的药剂包含以下式（I）所表示的化合物作为活性成分：其中A是由L-W表示的基团[其中L是键或CH2; W是O，SO n（其中n为0至2），或-NR7-（其中R7是氢或低级烷基）]；G1和G2分别为（CH2）r（其中r为0至2），但当n为1时，G1和G2可以由低级烷基桥接；Y是低级烷基或（取代）苯甲亚基；Z是键或O，但当Z是键时，Y可以与苯环上的碳形成5-或6-成员环；R1是例如NO2，低级烷氧羰基，（取代）氨基甲酰基，（保护）羟基，（保护）羧基或（保护）N-羟基氨基甲酰基；R2和R3分别是氢，卤素，（卤代）低级烷基，（卤代）低级烷氧基或NO2；R4和R5分别是例如氢，卤素，（卤代）低级烷基，（卤代）低级烷氧基，CN或低级烷基磺酰基；R6是氢或低级烷基，其盐或溶剂化物。当用作预防/治疗肺癌，普通感冒综合症，肺结核，肺炎，急性支气管炎或慢性支气管炎等呼吸系统疾病的药剂时，具有出色的止咳活性。
• 4-HYDROXPIPERIDINE DERIVATIVE WITH ANALGETIC ACTIVITY
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1391452A1

  公开（公告）日：2004-02-25

  A compound represented by the following Formula (I): (wherein A represents oxygen atom or -NR3- (R3 represents hydrogen atom or lower alkyl group); R1 represents nitro group, lower alkoxycarbonyl group, carbamoyl group unsubstituted or mono- or di-substituted by lower alkyl group, unprotected or protected hydroxyl group, unprotected or protected carboxyl group, lower alkyl group substituted by unprotected or protected hydroxyl group, or tetrazolyl group; and R2 represents hydrogen atom, cyano group or lower alkylsulfonyl group, provided that when A is - NR3-, it is excluded that R1 represents unprotected or protected hydroxyl group or lower alkyl group substituted by unprotected or protected hydroxyl group) or its salt, and method for producing the compound, and a pharmaceutical composition containing the compound as active ingredient.

  由下式(I)代表的化合物： (其中 A 代表氧原子或-NR3-（R3 代表氢原子或低级烷基）；R1 代表硝基、低级烷氧羰基、未被低级烷基取代或被低级烷基一取代或二取代的氨基甲酰基、未受保护或受保护的羟基、未受保护或受保护的羧基、被未受保护或受保护的羟基取代的低级烷基或四唑基；和 R2 代表氢原子、氰基或低级烷基磺酰基，但当 A 为-NR3-时，不包括 R1 代表未保护或受保护羟基或被未保护或受保护羟基取代的低级烷基）或其盐，以及生产该化合物的方法和含有该化合物作为活性成分的药物组合物。