2-chloro-N-(4-methyl-3-nitrophenyl) pyridine-4-carboxamide | 258503-84-3

• 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: 2-chloro-N-(4-methyl-3-nitrophenyl) pyridine-4-carboxamide
• 英文别名: 2-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
• CAS: 258503-84-3
• 化学式: C₁₃H₁₀ClN₃O₃
• 分子量: 291.694
• InChiKey: HBRAGDYMFAZUBV-UHFFFAOYSA-N

物化性质

• 沸点：
  379.9±42.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(4-methyl-3-nitrophenyl) pyridine-4-carboxamide 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 100.0 ℃ 、206.85 kPa 条件下， 反应 26.0h， 生成 N-(3-amino-4-methylphenyl)-2-morpholinopyridine-4-carboxamide
  参考文献：
  名称：

  [EN] PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS
  [FR] COMPOSES PYRROLO-TRIAZINE ANILINE UTILES EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  具有化学式（I）的化合物，以及其药学上可接受的盐、前药和溶剂化物，可用作激酶抑制剂，其中R1、R2、R3、R4、R5、R6、X和Z如规范中所述。

  公开号：

  WO2003090912A1
• 作为产物：
  描述：

  2-氯吡啶-4-甲酰氯 、 4-甲基-3-硝基苯胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以99.6%的产率得到2-chloro-N-(4-methyl-3-nitrophenyl) pyridine-4-carboxamide
  参考文献：
  名称：

  [EN] PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS
  [FR] COMPOSES PYRROLO-TRIAZINE ANILINE UTILES EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  具有化学式（I）的化合物，以及其药学上可接受的盐、前药和溶剂化物，可用作激酶抑制剂，其中R1、R2、R3、R4、R5、R6、X和Z如规范中所述。

  公开号：

  WO2003090912A1

文献信息

• Substituted anilino-quinazoline (or quinoline) compounds and use thereof
  申请人：Astrazeneca AB

  公开号：US06593333B1

  公开（公告）日：2003-07-15

  The invention concerns amide derivatives of Formula (I), wherein: G is N or CH; R1 is a group such as hydroxy, halo, trifluoromethyl, C1-6alkyl and C1-6alkoxy; each of R2 and R3 is hydrogen, halo, C1-6alkyl, C2-6alkenyl or C2-6alkynyl; R4 is a group such as hydrogen, hydroxy, C1-6alkyl, C1-6alkoxy and C3-7cycloalkyl, or R4 is of the Formula (IC): —K—J, wherein J is aryl, heteroaryl or heterocyclyl and K is a bond or a group such as oxy and imino, R5 is a group such as hydrogen, halo and trifluoromethyl: m is 1-3 and q is 0-4; or pharmaceutically acceptable salts or in vivo cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

  该发明涉及式（I）的酰胺衍生物，其中：G为N或CH；R1为羟基、卤素、三氟甲基、C1-6烷基和C1-6烷氧基等基团；R2和R3中的每一个为氢、卤素、C1-6烷基、C2-6烯基或C2-6炔基；R4为氢、羟基、C1-6烷基、C1-6烷氧基和C3-7环烷基等基团，或R4为式（IC）中的基团：—K—J，其中J为芳基、杂芳基或杂环烷基，K为键或氧基、亚胺基等基团；R5为氢、卤素和三氟甲基等基团；m为1-3，q为0-4；或其药学上可接受的盐或体内可水解酯；其制备方法，含有它们的药物组合物以及它们在治疗由细胞因子介导的疾病或医疗状况中的用途。
• Benzamide derivatives and their use as cytokine inhibitors
  申请人：Astra Zeneca AB

  公开号：US06455520B1

  公开（公告）日：2002-09-24

  The invention concerns amide derivatives of formula (I) wherein R3 is (1-6C)alkyl or halogeno; m is 0-3, p is 0-2 and q is 0-4; each of R1 and R2 is a group such as hydroxy, halogeno, trifluoromethyl and cyano; R4 is a basic group such as amino, (1-6C)alkylamino, di-[(1-6C)alkyl]amino, di-[(1-6C)alkyl]amino-(1-6C)alkyl, di-[(1-6C)alkyl]amino-(2-6C)alkoxy, heteroaryl, heteroaryloxy, heteroaryl-(1-6C)alkoxy, heterocyclyl, heterocyclyloxy and heterocyclyl-(1-6C)alkoxy; and Q2 is a group such as heteroaryl, heteroaryloxy or heteroaryl-(1-6C)alkoxy which is optionally substituted; or pharmaceutically-acceptable salts or in-vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

  该发明涉及式(I)的酰胺衍生物 其中R3是(1-6C)烷基或卤素；m为0-3，p为0-2，q为0-4；R1和R2中的每一个是羟基、卤素、三氟甲基和氰基等基团；R4是氨基、(1-6C)烷基氨基、二-[（1-6C）烷基]氨基、二-[（1-6C）烷基]氨基-(1-6C)烷基、二-[（1-6C）烷基]氨基-(2-6C)氧烷基、杂环芳基、杂环芳氧基、杂环芳基-(1-6C)氧烷基、杂环烷基、杂环氧基和杂环烷基-(1-6C)氧烷基；Q2是杂环芳基、杂环芳氧基或杂环芳基-(1-6C)氧烷基等基团，可选择性地被取代；或其药学上可接受的盐或体内可水解酯；它们的制备方法、含有它们的药物组合物以及它们在治疗由细胞因子介导的疾病或医疗状况中的用途。
• Amide derivatives useful as inhibitors of the production of cytokines
  申请人：AstraZeneca AB

  公开号：US06432949B1

  公开（公告）日：2002-08-13

  The invention concerns amide derivatives of formula (I) wherein R3 is (1-6C)alkyl or halogeno; Q1 is heteroaryl which is optionally substituted with 1, 2, 3, or 4 substituents such as hydroxy, halogeno, trifluoromethyl, (1-6C)alkyl, (1-6C)alkoxy, hydroxy-(1-6C)alkyl, (1-6C)alkoxy-(1-6C)alkyl, hydroxy-(2-6C)alkoxy, amino-(2-6C)alkylamino, N-(1-6C)alkyl-(1-6C)alkylamino-(2-6C)alkylamino, aryl, heteroaryl and heterocyclyl; p is 0-2 and R2 is a substituent such as hydroxy and halogeno; q is 0-4; and Q2 includes optionally substituted aryl, cycloalkyl, heteroaryl and heterocyclyl; or pharmaceutically-acceptable salts or in vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

  该发明涉及式(I)的酰胺衍生物，其中R3为(1-6C)烷基或卤素；Q1为杂环芳基，可选地取代为1、2、3或4个取代基，如羟基、卤素、三氟甲基、(1-6C)烷基、(1-6C)烷氧基、羟基-(1-6C)烷基、(1-6C)烷氧基-(1-6C)烷基、羟基-(2-6C)烷氧基、氨基-(2-6C)烷基氨基、N-(1-6C)烷基-(1-6C)烷基氨基-(2-6C)烷基氨基、芳基、杂环芳基和杂环烷基；p为0-2，R2为羟基和卤素等取代基；q为0-4；Q2包括可选取代的芳基、环烷基、杂环芳基和杂环烷基；或其药学上可接受的盐或体内可水解酯；它们的制备方法、含有它们的药物组合物以及它们在治疗由细胞因子介导的疾病或医疗状况中的用途。
• Amide derivatives
  申请人：Brown S. Dearg

  公开号：US20050245551A1

  公开（公告）日：2005-11-03

  The invention concerns amide derivatives of Formula (Ia) wherein X is —NHCO— or —CONH—; m is 0-3; R 1 is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino, carboxy and carbamoyl; n is 0-2; R 2 is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino and carboxy; R 3 is hydrogen, halogeno, (1-6C)alkyl or (1-6C)alkoxy; q is 0-4; and Q is a group such as aryl, aryloxy, aryl-(1-6C)alkoxy, arylamino and N -(1-6C)alkyl-arylamino; or pharmaceutically-acceptable salts or in-vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

  本发明涉及式(Ia)的酰胺衍生物，其中X为—NHCO—或—CONH—；m为0-3；R1为羟基、卤代、三氟甲基、氰基、巯基、硝基、氨基、羧基和氨基甲酰基等基团；n为0-2；R2为羟基、卤代、三氟甲基、氰基、巯基、硝基、氨基和羧基等基团；R3为氢、卤代、(1-6C)烷基或(1-6C)烷氧基；q为0-4；Q为芳基、芳氧基、芳基-(1-6C)烷氧基、芳基氨基和N-(1-6C)烷基-芳基氨基等基团；或其药学上可接受的盐或体内可降解的酯；制备它们的方法、含有它们的制药组合物以及它们在治疗细胞因子介导的疾病或医疗状况中的用途。
• Pyridine and pyrimidine derivatives and their use as inhibitors of cytokine mediated disease
  申请人：AstraZeneca AB

  公开号：US06784174B1

  公开（公告）日：2004-08-31

  This invention concerns a bicyclic compound of Formula (I), wherein: G is N, CH or C(CN); ring X is a 5- or 6-membered fused heteroaryl ring which contains 1, 2, or 3 heteroatoms selected from oxygen, sulphur and nitrogen; m is 0-2; R1 is a group such as hydroxy, halo, trifluoromethyl, cyano, mercapto, nitro, amino, carboxy and carbamoyl; each of R2 and R3 is hydrogen, halo, C1-6alkyl, C2-6alkenyl or C2-6 alkynyl; R4 is a group such as hydrogen, hydroxy, C1-6alkyl, C1-6alkoxy, amino and N-C1-6alkylamino; R5 is a group such as hydrogen, halo, trifluoromethyl, cyano, nitro, amino and hydroxy, and q is 0-4; or a pharmaceutically acceptable salt or an in vivo cleavable ester thereof; processes for its preparation, a pharmaceutical composition containing it and its use in the treatment of diseases or medical conditions mediated by cytokines.

  本发明涉及一种公式(I)的双环化合物，其中：G为N、CH或C(CN)；环X为含有1、2或3个来自氧、硫和氮的杂原子的5-或6元融合杂芳基环；m为0-2；R1为羟基、卤素、三氟甲基、氰基、巯基、硝基、氨基、羧基和氨基甲酰等基团；R2和R3中的每一个都是氢、卤素、C1-6烷基、C2-6烯基或C2-6炔基；R4为氢、羟基、C1-6烷基、C1-6烷氧基、氨基和N-C1-6烷基氨基等基团；R5为氢、卤素、三氟甲基、氰基、硝基、氨基和羟基等基团，q为0-4；或其药学上可接受的盐或体内可水解酯；以及其制备方法、包含它的制药组合物和在治疗由细胞因子介导的疾病或医疗状况中的应用。