1-[2-(4-cyanophenyl)ethyl]-4-piperidinone | 136080-98-3

• 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: 1-[2-(4-cyanophenyl)ethyl]-4-piperidinone
• 英文别名: 1-[2-(4-cyanophenyl)ethyl]piperidin-4-one；4-[2-(4-oxopiperidin-1-yl)ethyl]benzonitrile
• CAS: 136080-98-3
• 化学式: C₁₄H₁₆N₂O
• 分子量: 228.294
• InChiKey: GHJDQNOUZFYINT-UHFFFAOYSA-N

物化性质

• 沸点：
  404.4±35.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[2-(4-cyanophenyl)ethyl]-4-piperidinone 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 3.17h， 生成 1-[2-(4-cyanophenyl)ethyl]piperidin-4-spiro-2'-oxirane
  参考文献：
  名称：

  THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1568688B1
• 作为产物：
  描述：

  4-氧代哌啶酮盐酸盐 、 4-(2-氧代乙基)苯甲腈 在 三乙酰氧基硼氢化钠 作用下， 以 甲醇 为溶剂， 反应 3.5h， 生成 1-[2-(4-cyanophenyl)ethyl]-4-piperidinone
  参考文献：
  名称：

  THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1568688B1

文献信息

• Nitrogen-containing spirocycles
  申请人：Merck & Co., Inc.

  公开号：US05206240A1

  公开（公告）日：1993-04-27

  Spirocycles of general structural formula: ##STR1## are Class III antiarrhythmic agents.

  通用结构式为：##STR1## 的螺环化合物是III类抗心律失常药物。
• REMEDIES FOR NEUROPATHIC PAIN
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1182193A1

  公开（公告）日：2002-02-27

  The present invention relates to a compound represented by Formula (I) below: (wherein A represents, for example, phenyl group substituted by R1 and R2, or an unsubstituted furyl group or an unsubstitued thienyl group; R1 represents, for example, hydrogen atom, fluorine atom, chlorine atom, trifluoromethyl group, nitro group, cyano group or methyl group while R2 represents, for example, hydrogen atom; R3 represents, for example, hydrogen atom or methyl group; R4 represents, for example, hydrogen atom or methyl group; R5 represents ethoxy group or isopropoxy group; X represents group: -CH(OH)- or methylene group; and Z represents, for example, a single bond or methylene group unsubstituted or substituted by hydroxyl group), and its salts, and medicinal compositions containing, as their active ingredient, the above compound or its salts. The compound of this invention, which is orally applicable, is highly effective for treating neuroapthic pain while presenting with fewer side-effects than do the conventional analgesics.

  本发明涉及一种化合物，其由以下通式(I)表示：(其中A代表例如被R1和R2取代的苯基，或未被取代的呋喃基或未被取代的噻吩基；R1代表例如氢原子、氟原子、氯原子、三氟甲基、硝基、氰基或甲基，而R2代表例如氢原子；R3代表例如氢原子或甲基；R4代表例如氢原子或甲基；R5代表乙氧基或异丙氧基；X代表基团：-CH(OH)-或亚甲基；Z代表例如单键或未被取代或被羟基取代的亚甲基)，及其盐，以及含有上述化合物或其盐作为活性成分的药物组合物。本发明的化合物可经口给药，对治疗神经痛性疼痛具有高度有效性，且相比传统镇痛药副作用更少。
• Agents for treating neuropathic pain
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：US20020049229A1

  公开（公告）日：2002-04-25

  The present invention relates to a compound represented by Formula (I) below: 1 (wherein A represents, for example, phenyl group substituted by R 1 and R 2 , or an unsubstituted furyl group or an unsubstitued thienyl group; R 1 represents, for example, hydrogen atom, fluorine atom, chlorine atom, trifluoromethyl group, nitro group, cyano group or methyl group while R 2 represents, for example, hydrogen atom; R 3 represents, for example, hydrogen atom or methyl group; R 4 represents, for example, hydrogen atom or methyl group; R 5 represents ethoxy group or isopropoxy group; X represents group: —CH(OH)— or methylene group; and Z represents, for example, a single bond or methylene group unsubstituted or substituted by hydroxyl group), and its salts, and medicinal compositions containing, as their active ingredient, the above compound or its salts. The compound of this invention, which is orally applicable, is highly effective for treating neuroapthic pain while presenting with fewer side-effects than do the conventional analgesics.

  本发明涉及一种化合物，其由下面的式(I)表示：1（其中A表示例如由R1和R2取代的苯基，或未取代的呋喃基或未取代的噻吩基；R1表示例如氢原子、氟原子、氯原子、三氟甲基、硝基、氰基或甲基，而R2表示例如氢原子；R3表示例如氢原子或甲基；R4表示例如氢原子或甲基；R5表示乙氧基或异丙氧基；X表示基团：—CH(OH)—或亚甲基；Z表示例如单键或未取代或由羟基取代的亚甲基），及其盐，以及含有上述化合物或其盐作为活性成分的药物组合物。本发明的化合物可口服使用，在治疗神经性疼痛方面具有高效率，同时相比传统镇痛药副作用更少。
• 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。