6-Methoxy-(4-benzylpiperidinyl)-indole-5-carboxamide-3-glyoxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 6-Methoxy-(4-benzylpiperidinyl)-indole-5-carboxamide-3-glyoxylic acid
• 英文别名: 2-[2-(4-benzylpiperidin-1-yl)-5-carbamoyl-6-methoxy-1H-indol-3-yl]-2-oxoacetic acid
• 化学式: C₂₄H₂₅N₃O₅
• 分子量: 435.48
• InChiKey: KEIXHGYQZNJLAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-methoxy-(4-benzylpiperidinyl)-indole-5-carboxamide 、 草酸氯化物 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 6-Methoxy-(4-benzylpiperidinyl)-indole-5-carboxamide-3-glyoxylic acid
  参考文献：
  名称：

  Compounds and methods to treat cardiac failure and other disorders

  摘要：

  在治疗与心力衰竭相关的心脏疾病和治疗以促炎症为特征的疾病中，对于在5或6位置被芳香基取代的吲哚、苯并咪唑和苯并三唑，其取代基通过哌嗪环连接到所述的吲哚、苯并咪唑或苯并三唑是有用的。

  公开号：

  US06589954B1

文献信息

• [EN] INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE<br/>[FR] DERIVES DE TYPE INDOLE EN TANT QU'INHIBITEURS DE p38 KINASE
  申请人：SCIOS INC

  公开号：WO2000071535A1

  公开（公告）日：2000-11-30

  The invention is directed to methods to inhibit p38-α kinase using compounds of formula (1), and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein (a) represents a single or double bond; one Z2 is CA or CR8A and the other is CR1, CR12, NR6 or N wherein each R?1, R6 and R8¿ is independently hydrogen or noninterfering substituent; A is -W¿i?-COXjY wherein Y is COR?2¿ or an isostere thereof and R2 is hydrogen or a noninterfering substituent, each of W and X is a spacer of 2-6Å, and each of i and j is independently 0 or 1; Z?3 is NR7¿ or O; each R3 is independently a noninterfering substituent; n is 0-3; each of L?1 and L2¿ is a linker; each R4 is independently a noninterfering substituent; m is 0-4; Z?1 is CR5¿ or N wherein R5 is hydrogen or a noninterfering substituent; each of l and k is an integer from 0-2 wherein the sum of l and k is 0-3; Ar is an aryl group substituted with 0-5 noninterfering substituents, wherein two noninterfering substituents can form a fused ring; and the distance between the atom of Ar linked to L2 and the center of the α ring is 4.5-24Å.

  该发明涉及使用式（1）的化合物及其药学上可接受的盐或药物组合物来抑制p38-α激酶的方法，其中（a）表示单个或双键；Z2中的一个为CA或CR8A，另一个为CR1、CR12、NR6或N，其中每个R?1、R6和R8¿都独立地表示氢或非干扰取代基；A为-W¿i?-COXjY，其中Y为COR?2¿或其同分异构体，R2为氢或非干扰取代基，W和X各自为2-6Å的间隔，i和j各自独立地为0或1；Z?3为NR7¿或O；每个R3都独立地表示非干扰取代基；n为0-3；每个L?1和L2¿都是一个连接基；每个R4都独立地表示非干扰取代基；m为0-4；Z?1为CR5¿或N，其中R5为氢或非干扰取代基；每个l和k都是0-2的整数，其中l和k的和为0-3；Ar是一个芳基基团，其被0-5个非干扰取代基取代，其中两个非干扰取代基可以形成融合环；并且与L2连接的Ar原子与α环中心的距离为4.5-24Å。
• Indole-type derivatives as inhibitors of p38 kinase
  申请人：——

  公开号：US20030195355A1

  公开（公告）日：2003-10-16

  The invention is directed to methods to inhibit p38-&agr; kinase using compounds of the formula 1 and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein represents a single or double bond; one Z 2 is CA or CR 8 A and the other is CR 1 , CR 1 2 , NR 6 or N wherein each R 1 , R 6 and R 8 is independently hydrogen or noninterfering substituent; A is —W i —COX j Y wherein Y is COR 2 or an isostere thereof and R 2 is hydrogen or a noninterfering substituent, each of W and X is a spacer of 2-6 Å, and each of i and j is independently 0 or 1; Z 3 is NR 7 or O; each R 3 is independently a noninterfering substituent; n is 0-3; each of L 1 and L 2 is a linker; each R 4 is independently a noninterfering substituent; m is 0-4; Z 1 is CR 5 or N wherein R 5 is hydrogen or a noninterfering substituent; each of l and k is an integer from 0-2 wherein the sum of l and k is 0-3; Ar is an aryl group substituted with 0-5 noninterfering substituents, wherein two noninterfering substituents can form a fused ring; and the distance between the atom of Ar linked to L 2 and the center of the &agr; ring is 4.5-24 Å.

  该发明涉及使用公式1及其药学上可接受的盐或药物组合物来抑制p38-α激酶的方法，其中： 表示单键或双键； Z2中的一个为CA或CR8A，另一个为CR1、CR12、NR6或N，其中每个R1、R6和R8独立地为氢或非干扰基； A为—Wi—COXjY，其中Y为COR2或其等构体，R2为氢或非干扰基，W和X均为2-6 Å的间隔基，i和j各自独立地为0或1； Z3为NR7或O； 每个R3独立地为非干扰基； n为0-3； 每个L1和L2均为连接基； 每个R4独立地为非干扰基； m为0-4； Z1为CR5或N，其中R5为氢或非干扰基； l和k各自为0-2的整数，其中l和k的和为0-3； Ar为芳基基团，其上取代有0-5个非干扰基，其中两个非干扰基可以形成融合环； 与L2连接的Ar原子与α环中心之间的距离为4.5-24 Å。
• Benzofuran derivatives as inhibitors of p38-alpha kinase
  申请人：——

  公开号：US20030158417A1

  公开（公告）日：2003-08-21

  The invention is directed to methods to inhibit p38-&agr; kinase using compounds of the formula 1 and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein represents a single or double bond; one Z 2 is CA or CR 8 A and the other is CR 1 , CR 1 2 , NR 6 or N wherein each R 1 , R 6 and R 8 is independently hydrogen or noninterfering substituent; A is —W i —COX j Y wherein Y is COR 2 or an isostere thereof and R 2 is hydrogen or a noninterfering substituent, each of W and X is a spacer of 2-6 Å, and each of i and j is independently 0 or 1; Z 3 is NR 7 or O; each R 3 is independently a noninterfering substituent; n is 0-3; each of L 1 and L 2 is a linker; each R 4 is independently a noninterfering substituent; m is 0-4; Z 1 is CR 5 or N wherein R 5 is hydrogen or a noninterfering substituent; each of l and k is an integer from 0-2 wherein the sum of l and k is 0-3; Ar is an aryl group substituted with 0-5 noninterfering substituents, wherein two noninterfering substituents can form a fused ring; and the distance between the atom of Ar linked to L 2 and the center of the &agr; ring is 4.5-24 Å.

  本发明涉及使用式1化合物及其药学上可接受的盐或制剂的方法，以抑制p38-α激酶，其中： - 表示单个或双键； - 其中一个Z2是CA或CR8A，另一个是CR1、CR12、NR6或N，其中每个R1、R6和R8独立地表示氢或非干扰取代基； - A是-Wi-COXjY，其中Y是COR2或其异构体，R2是氢或非干扰取代基，W和X分别是2-6埃的间隔基，i和j各自独立地为0或1； - Z3是NR7或O； - 每个R3独立地表示非干扰取代基； - n为0-3； - 每个L1和L2是连接基； - 每个R4独立地表示非干扰取代基； - m为0-4； - Z1是CR5或N，其中R5是氢或非干扰取代基； - 每个l和k是0-2的整数，其中l和k的和为0-3； - Ar是芳基基团，其上取代0-5个非干扰基团，其中两个非干扰基团可以形成融合环； - Ar与L2连接的原子与α环中心之间的距离为4.5-24埃。
• INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE
  申请人：Mavunkel J. Babu

  公开号：US20070161649A1

  公开（公告）日：2007-07-12

  The invention is directed to methods to inhibit p38-α kinase using compounds of the formula and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein represents a single or double bond; one Z 2 is CA or CR 8 A and the other is CR 1 , CR 1 2 , NR 6 or N wherein each R 1 , R 6 and R 8 is independently hydrogen or noninterfering substituent; A is —W i —COX j Y wherein Y is COR 2 or an isostere thereof and R 2 is hydrogen or a noninterfering substituent, each of W and X is a spacer of 2-6 Å, and each of i and j is independently 0 or 1; Z 3 is NR 7 or O; each R 3 is independently a noninterfering substituent; n is 0-3; each of L 1 and L 2 is a linker; each R 4 is independently a noninterfering substituent; m is 0-4; Z 1 is CR 5 or N wherein R 5 is hydrogen or a noninterfering substituent; each of 1 and k is an integer from 0-2 wherein the sum of 1 and k is 0-3; Ar is an aryl group substituted with 0-5 noninterfering substituents, wherein two noninterfering substituents can form a fused ring; and the distance between the atom of Ar linked to L 2 and the center of the α ring is 4.5-24 Å.

  该发明涉及使用以下式子的化合物及其药学上可接受的盐或药物组合物来抑制p38-α激酶的方法： 其中，表示单键或双键；其中一个Z2为CA或CR8A，另一个为CR1、CR12、NR6或N，其中每个R1、R6和R8都独立地为氢或非干扰基；A为—Wi—COXjY，其中Y为COR2或其同分异构体，R2为氢或非干扰基，W和X均为2-6Å的间隔，i和j均独立地为0或1；Z3为NR7或O；每个R3都是非干扰基；n为0-3；每个L1和L2都是连接基；每个R4都是非干扰基；m为0-4；Z1为CR5或N，其中R5为氢或非干扰基；每个1和k为0-2的整数，其中1和k的和为0-3；Ar为芳基基团，其上带有0-5个非干扰基，其中两个非干扰基可以形成螺环；且与L2连接的Ar原子与α环中心之间的距离为4.5-24Å。
• INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE
  申请人：Scios Inc.

  公开号：EP1178983A1

  公开（公告）日：2002-02-13