N-[3-cyano-4-(4-(2-hydroxyethyl)piperidin-1-yl) phenyl]benzo[b]thiophene-2-carboxamide | 398137-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: N-[3-cyano-4-(4-(2-hydroxyethyl)piperidin-1-yl) phenyl]benzo[b]thiophene-2-carboxamide
• 英文别名: N-[3-cyano-4-(4-(2-hydroxyethyl)piperidin-1-yl)-phenyl]benzo[b]thiophene-2-carboxamide；N-[3-cyano-4-(4-(2-hydroxyethyl)piperidin-1-yl)phenyl]benzo[b]thiophene-2-carboxamide；N-[3-cyano-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
• CAS: 398137-03-6
• 化学式: C₂₃H₂₃N₃O₂S
• 分子量: 405.521
• InChiKey: QVYRSWJKHSVGML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯并噻吩-2-羧酸 、 5-amino-2-[4-(2-hydroxyethyl)piperidin-1-yl]benzonitrile 以the title compound (0.8 g) was obtained的产率得到N-[3-cyano-4-(4-(2-hydroxyethyl)piperidin-1-yl) phenyl]benzo[b]thiophene-2-carboxamide
  参考文献：
  名称：

  Fused bicyclic amide compounds and medicinal use thereof

  摘要：

  本发明提供了一种化合物，其表示为公式(I)1，其中环A为苯，环己烷，吡啶，哌啶或其衍生物，咪唑或其衍生物等，环B为苯，环己烷，吡咯或其衍生物，呋喃，噻吩等，R1，R2和R3都是氢，烷基，卤素，羟基，烷氧基等，W为氢，烷基或羟基羧酸烷基，X为卤素，氰基，硝基等，X'为氢，卤素等，Y为烷基，羟基烷基，羟基羧酸烷基，氨基烷基等，其盐以及含有该化合物的药物制剂。本发明的化合物显示出对激活的淋巴细胞增殖的优异抑制作用，并可用作预防或治疗各种自身免疫性疾病的药剂。

  公开号：

  US20030203909A1

文献信息

• FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1310488A1

  公开（公告）日：2003-05-14

  The present invention provides a compound represented by the formula (I) wherein ring A is benzene, cyclohexane, pyridine, piperidine or a derivative thereof, imidazole or a derivative thereof and the like, ring B is benzene, cyclohexane, pyrrole or a derivative thereof, furan, thiophene and the like, R1, R2 and R3 are each hydrogen, alkyl, halogen, hydroxyl group, alkoxy and the like, W is hydrogen, alkyl or hydroxycarbonylalkyl, X is halogen, cyano, nitro and the like, X' is hydrogen, halogen and the like, and Y is alkyl, hydroxyalkyl, hydroxycarbonylalkyl, aminoalkyl and the like, a salt thereof, and a pharmaceutical agent containing the compound. The compound of the present invention shows a superior inhibitory effect on the proliferation of activated lymphocyte and is useful as an agent for the prophylaxis or treatment of various autoimmune diseases.

  本发明提供了一种由式（I）表示的化合物 其中环 A 是苯、环己烷、吡啶、哌啶或其衍生物、咪唑或其衍生物等，环 B 是苯、环己烷、吡咯或其衍生物、呋喃、噻吩等，R1、R2 和 R3 分别是氢、烷基、卤素、羟基、烷氧基等，W 是氢、烷基或羟基羰基烷基，X 是卤素、氰基、硝基等、W为氢、烷基或羟基羰基烷基，X为卤素、氰基、硝基等，X'为氢、卤素等，Y为烷基、羟基烷基、羟基羰基烷基、氨基烷基等，其盐以及含有该化合物的药剂。本发明的化合物对活化淋巴细胞的增殖有很好的抑制作用，可作为预防或治疗各种自身免疫性疾病的药物。
• US7112594B2
  申请人：——

  公开号：US7112594B2

  公开（公告）日：2006-09-26
• Fused bicyclic amide compounds and medicinal use thereof
  申请人：——

  公开号：US20030203909A1

  公开（公告）日：2003-10-30

  The present invention provides a compound represented by the formula (I) 1 wherein ring A is benzene, cyclohexane, pyridine, piperidine or a derivative thereof, imidazole or a derivative thereof and the like, ring B is benzene, cyclohexane, pyrrole or a derivative thereof, furan, thiophene and the like, R 1 , R 2 and R 3 are each hydrogen, alkyl, halogen, hydroxyl group, alkoxy and the like, W is hydrogen, alkyl or hydroxycarbonylalkyl, X is halogen, cyano, nitro and the like, X′ is hydrogen, halogen and the like, and Y is alkyl, hydroxyalkyl, hydroxycarbonylalkyl, aminoalkyl and the like, a salt thereof, and a pharmaceutical agent containing the compound. The compound of the present invention shows a superior inhibitory effect on the proliferation of activated lymphocyte and is useful as an agent for the prophylaxis or treatment of various autoimmune diseases.

  本发明提供了一种由以下化学式（I）1所代表的化合物，其中环A为苯、环己烷、吡啶、哌啶或其衍生物、咪唑或其衍生物等，环B为苯、环己烷、吡咯或其衍生物、呋喃、噻吩等，R1、R2和R3分别为氢、烷基、卤素、羟基、烷氧基等，W为氢、烷基或羟基羰基烷基，X为卤素、氰基、硝基等，X′为氢、卤素等，Y为烷基、羟基烷基、羟基羰基烷基、氨基烷基等，其盐和含有该化合物的药物。本发明的化合物对活化淋巴细胞的增殖具有优越的抑制作用，并可用作各种自身免疫性疾病的预防或治疗剂。