2-(4-Cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(4-Cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
• 化学式: C₂₀H₁₆N₄O₂
• 分子量: 344.4
• InChiKey: NQXXSPMJWSWRGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Amide derivatives as glycogen synthase kinase 3-beta inhibitors
  申请人：Freyne Edgard Eddy Jean

  公开号：US20050176713A1

  公开（公告）日：2005-08-11

  This invention concerns a compound of formula a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein ring A represents a 6-membered heterocycle; R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; optionally substituted C 1-6 alkyl; C 1-6 alkyloxycarbonyl; optionally substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; X is a direct bond or a linker atom or group; Z is O or S; R 2 is hydrogen, C 1-10 alkyl, C 2-10 alkenyl, C 2-10 alkynyl, a carbocycle or a heterocycle, each of said groups may optionally be substituted; R 3 is hydrogen; hydroxy; halo; optionally substituted C 1-6 alkyl or C 2-6 alkenyl or C 2-6 alkynyl; C 1-6 alkyloxy; C 1-6 alkylthio; C 1-6 alkyloxycarbonyl; C 1-6 alkylcarbonyloxy; carboxyl; cyano; nitro; amino; mono- or di(C 1-6 alkyl)amino; polyhaloC 1-6 alkyl; polyhaloC 1-6 alkyloxy; polyhaloC 1-6 alkylthio; R 21 ; R 21 -C 1-6 alkyl; R 21 —O—; R 21 —S—; R 21 —C(═O)—; R 21 —S(═O) p —; R 7 —S(═O) p —; R 7 —S(═O) p —NH—; R 21 —S(═O) p —NH—; R 7 —C(═O)—; —NHC(═O)H; —C(═O)NHNH 2 ; R 7 —C(═O)—NH—; R 21 —C(═O)—NH—; —C(═NH)R 7 ; —C(═NH)R 21 ; R 4a or R 4b each independently represent hydrogen, R 8 , —Y 1 —NR 9 —Y 2 —NR 10 R 11 , —Y 1 —NR 9 —Y 1 —R 8 , —Y 1 —NR 9 R 10 ; provided that —X—R 2 and/or R 3 is other than hydrogen; their use, pharmaceutical compositions comprising them and processes for their preparation.

  本发明涉及一种式化合物 一种 N-氧化物、一种药学上可接受的加成盐、一种季胺及其立体化学异构体形式，其中环 A 代表 6 元杂环； R 1 是氢；芳基；甲酰基；C 1-6 烷基羰基 1-6 烷基 1-6 烷氧羰基；任选取代的 C 1-6 烷氧基C 1-6 烷基羰基；X 是直接键或连接原子或基团；Z 是 O 或 S；R 2 是氢、C 1-10 烷基、C 2-10 烯基，C 2-10 炔基、碳环或杂环，上述每个基团可任选被取代； R 3 是氢；羟基；卤代；任选取代的 C 1-6 烷基或 C 2-6 烯基或 C 2-6 炔基；C 1-6 烷氧基 1-6 烷硫基 1-6 烷氧羰基 1-6 烷基羰氧基；羧基；氰基；硝基；氨基；单-或双(C 1-6 烷基）氨基；多卤代C 1-6 烷基 1-6 烷氧基 1-6 烷硫基 21 ; R 21 -C 1-6 烷基；R 21 -O-； R 21 -S-; R 21 -C(═O)-; R 21 -S(═O) p -; R 7 -S(═O) p -; R 7 -S（═O） p -NH-；R 21 -S（═O） p -NH-；R 7 -C(═O)-；-NHC(═O)H；-C(═O)NHNH 2 ; R 7 -C（═O）-NH-； R 21 -C(═O)-NH-; -C(═NH)R 7 ；-C(═NH)R 21 ; R 4a 或 R 4b 各自独立地代表氢、R 8 , -Y 1 -NR 9 -Y 2 -NR 10 R 11 , -Y 1 -NR 9 -Y 1 -R 8 , -Y 1 -NR 9 R 10 条件是-X-R 2 和/或 R 3 是除氢以外的化合物；它们的用途、包含它们的药物组合物以及制备它们的工艺。
• AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1442019A1

  公开（公告）日：2004-08-04
• US7183288B2
  申请人：——

  公开号：US7183288B2

  公开（公告）日：2007-02-27
• [EN] AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS<br/>[FR] DERIVES AMIDES UTILISES EN TANT QU'INHIBITEURS DE LA GLYCOGENE SYNTHASE KINASE 3-BETA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2003037869A1

  公开（公告）日：2003-05-08

  This invention concerns a compound of formula (I' ),a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein ring A represents a 6-membered heterocycle; R1 is hydrogen; aryl; formyl; C¿1-6?alkylcarbonyl; optionally substituted C1-6alkyl; C1-6alkyloxycarbonyl; optionally substituted C1-6alkyloxyC1-6alkylcarbonyl; X is a direct bond or a linker atom or group; Z is O or S; R?2¿ is hydrogen, C¿1-10?alkyl, C2-10alkenyl, C2-10alkynyl, a carbocycle or a heterocycle, each of said groups may optionally be substituted; R?3¿ is hydrogen; hydroxy; halo; optionally substituted C¿1-6?alkyl or C2-6alkenyl or C2-6alkynyl; C1-6alkyloxy; C1-6alkylthio; C1-6alkyloxycarbonyl; C1-6alkylcarbonyloxy; carboxyl; cyano; nitro; amino; mono- or di(C1-6alkyl)amino; polyhaloC1-6alkyl; polyhaloC1-6alkyloxy; polyhaloC1-6alkylthio; R?21; R21-C¿1-6alkyl; R?21-O-; R21-S-; R21¿-C(=O)-; R21-S(=O)¿p-; R?7-S(=O)¿p-; R?7-S(=O)¿p?-NH-; R?21¿-S(=O)¿p?-NH-; R?7¿-C(=O)-; -NHC(=O)H;-C(=O)NHNH¿2; R?7-C(=O)-NH-; R21-C(=O)-NH-; -C(=NH)R7; -C(=NH)R?21 ; R4a or R4b¿ each independently represent hydrogen, R8, -Y1-NR9-Y2-NR?10R11, -Y¿1-NR9-Y1-R8, -Y1-NR9R10; provided that -X-R2 and/or R3 is other than hydrogen; their use, pharmaceutical compositions comprising them and processes for their preparation.