3-Amino-N-(2-methoxyethyl)benzamide | 167837-52-7

• 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: 3-Amino-N-(2-methoxyethyl)benzamide
• CAS: 167837-52-7
• 化学式: C₁₀H₁₄N₂O₂
• mdl: MFCD09047611
• 分子量: 194.233
• InChiKey: UXRVHCQXTPTRIR-UHFFFAOYSA-N

物化性质

• 沸点：
  388.3±27.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  3-Amino-N-(2-methoxyethyl)benzamide 、 异氰酸1-金刚烷酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 3-{[(adamantan-1-yl)carbamoyl]amino}-N-(2-methoxyethyl)benzamide
  参考文献：
  名称：

  Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase

  摘要：

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.074
• 作为产物：
  描述：

  N-(2-methoxyethyl)-3-nitrobenzamide 在 甲酸铵 、 铁粉 作用下， 以 水 、 甲苯 为溶剂， 生成 3-Amino-N-(2-methoxyethyl)benzamide
  参考文献：
  名称：

  Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase

  摘要：

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.074

文献信息

• [EN] ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN<br/>[FR] DÉRIVÉS D'ARYLCARBOXAMIDE EN TANT QU'INHIBITEURS DE CANAL SODIQUE POUR LE TRAITEMENT DE LA DOULEUR
  申请人：AMGEN INC

  公开号：WO2011103196A1

  公开（公告）日：2011-08-25

  The present invention provides compounds that are inhibitors of voltage-gated sodium channels (Nav), in particular Nav 1.7, and are therefore useful for the treatment of diseases treatable by inhibition of these channels, in particular, chronic pain disorders. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种抑制电压门控钠通道（Nav）的化合物，特别是Nav 1.7，因此适用于治疗通过抑制这些通道可治疗的疾病，特别是慢性疼痛疾病。还提供了含有这种化合物的药物组合物以及制备这种化合物的方法。
• [EN] METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS<br/>[FR] PROCÉDÉS DE PRÉPARATION DE DÉRIVÉS DE PYRIMIDINE UTILES COMME INHIBITEURS DE LA PROTÉINE KINASE
  申请人：VERTEX PHARMA

  公开号：WO2011036566A1

  公开（公告）日：2011-03-31

  A method of preparing a compound represented by Structural Formula (I), or a pharmaceutically acceptable salt thereof, wherein the variables of Structural Formula (I) are as described in the specification and claims, comprises the steps of: a) reacting a compound represented by Structural Formula (A) with FTNR1R7 under suitable conditions to form a compound represented by Structural Formula (B); and b) i) when R12 is -NO2, and R11 is -OR14: 1) cyclizing the compound represented by Structural Formula (B) under suitable cyclisation conditions to form a compound represented by Structural Formula (II); and 2) optionally reacting the compound represented by Structural Formula (II) with R9-LG2, wherein LG2 is a suitable leaving group, to form the compound represented by Structural Formula (I), wherein R8 is R9; or ii) when R12 is halogen, and R11 is -NHR13: 1) cyclizing the compound represented by Structural Formula (B) under suitable cyclisation conditions to form the compound represented by Structural Formula (I); and 2) optionally, when R13 is - H, reacting the compound produced from step b), ii), 1) with R9-LG2, wherein LG2 is a suitable leaving group, to form the compound represented by Structural Formula (I) wherein R8 is R9.

  一种制备化合物结构式（I）或其药学上可接受的盐的方法，其中结构式（I）中的变量如说明书和权利要求中所述，包括以下步骤：a）在适当的条件下，将化合物结构式（A）与FTNR1R7反应，形成化合物结构式（B）；和b）i）当R12为-N02，而R11为-OR14时：1）在适当的环化条件下，使化合物结构式（B）环化形成化合物结构式（II）；和2）可选择地将化合物结构式（II）与R9-LG2反应，其中LG2是适当的离去基团，形成化合物结构式（I），其中R8为R9；或ii）当R12为卤素，而R11为-NHR13时：1）在适当的环化条件下，使化合物结构式（B）环化形成化合物结构式（I）；和2）可选择地，当R13为-H时，将从步骤b）ii）1）产生的化合物与R9-LG2反应，其中LG2是适当的离去基团，形成化合物结构式（I），其中R8为R9。
• CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS
  申请人：Bregman Howard

  公开号：US20130131035A1

  公开（公告）日：2013-05-23

  The present invention provides compounds that are inhibitors of voltage-gated sodium channels (Nav), in particular Nav 1.7, and are therefore useful for the treatment of diseases treatable by inhibition of these channels, in particular, chronic pain disorders. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种抑制电压门控钠通道（Nav）的化合物，特别是Nav 1.7，因此可用于治疗可通过抑制这些通道治疗的疾病，特别是慢性疼痛疾病。还提供了含有这种化合物的药物组合物以及制备这种化合物的方法。
• Heterocyclic compounds as bradykinin antagonists
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0622361A1

  公开（公告）日：1994-11-02

  A compound of the formula : wherein X¹is N or C-R⁶, X²is N or C-R⁷, X³is N or C-R⁸, R¹is hydrogen or halogen, R²is halogen, R³is hydrogen, nitro, amino optionally having suitable substituent(s) or a heterocyclic group optionally having suitable substituent(s), R⁴ and R⁵are each hydrogen or halogen, R⁶ and R⁸are each hydrogen, halogen, lower alkyl, hydroxy, lower alkylthio, amino optionally substituted with lower alkyl, or lower alkoxy optionally substituted with a substituent selected from the group consisting of hydroxy, lower alkoxy, amino, lower alkylamino and aryl optionally substituted with lower alkoxy, R⁷is hydrogen or lower alkyl, Ais lower alkylene, and Qis O or N-R⁹, in which R⁹ is hydrogen or acyl, provided that R³ is not hydrogen when X¹ is C-R⁶, in which R⁶ is hydrogen, and pharmaceutically acceptable salts thereof, processes for their preparation and pharmaceutical compositions comprising them.

  式中的化合物： 式中 X¹ 是 N 或 C-R⁶、 X² 是 N 或 C-R⁷、 X³ 是 N 或 C-R⁸、 R¹ 是氢或卤素、 R² 是卤素、 R³ 是氢、硝基、任选具有合适取代基的氨基或任选具有合适取代基的杂环基团、 R⁴ 和 R⁵ 均为氢或卤素、 R⁶ 和 R⁸ 各为氢、卤素、低级烷基、羟基、低级烷硫基、任选被低级烷基取代的氨基或任选被选自羟基、低级烷氧基、氨基、低级烷基氨基和任选被低级烷氧基取代的芳基组成的取代基取代的低级烷氧基、 R⁷ 是氢或低级烷基、 A 是低级亚烷基，以及 Q 是 O 或 N-R⁹，其中 R𠞙 是氢或酰基。 酰基，但当 X¹ 为 C-R⁶（其中 R⁶ 为氢）时，R³ 不是氢、 及其药学上可接受的盐、制备工艺和包含它们的药物组合物。
• DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1983987B1

  公开（公告）日：2010-09-01