N-(2-methoxyethyl)-3-nitrobenzamide | 167834-35-7

• 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: N-(2-methoxyethyl)-3-nitrobenzamide
• CAS: 167834-35-7
• 化学式: C₁₀H₁₂N₂O₄
• mdl: MFCD00751342
• 分子量: 224.216
• InChiKey: IXJSKLULBLVZNM-UHFFFAOYSA-N

物化性质

• 沸点：
  398.8±27.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 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：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2-甲氧基乙胺 、 间硝基苯甲酰氯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 N-(2-methoxyethyl)-3-nitrobenzamide
  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

• Heterocyclic compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05708173A1

  公开（公告）日：1998-01-13

  A compound of the formula: ##STR1## or its salt is prepared by reacting a compound of the formula: ##STR2## with a compound of the formula: ##STR3## Wherein the variables are all defined in claim 1.

  一种化合物的分子式为：##STR1##或其盐，是通过将一种分子式为：##STR2##的化合物与一种分子式为：##STR3##的化合物反应制备而成。其中变量在权利要求书1中被定义。
• Bradykinin antagonist quinolines
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05563162A1

  公开（公告）日：1996-10-08

  This invention relates to new heterocyclic compounds and pharmaceutically acceptable salts thereof. More particularly, this invention relates to new heterocyclic compounds and salts thereof which display bradykinin antagonist activity, to processes for preparing these compounds, to a pharmaceutical composition comprising these compounds, and to methods of using same in the prevention and/or the treatment of bradykinin- or bradykinin analogue-mediated diseases such as allergy, inflammation, autoimmune disease, shock, pain, or the like, in human beings or in animals.

  本发明涉及新的杂环化合物及其药学上可接受的盐。更具体地，本发明涉及新的杂环化合物及其盐，其具有Bradykinin拮抗活性，涉及制备这些化合物的过程，涉及包含这些化合物的制药组合物，以及在人类或动物中预防和/或治疗由Bradykinin或Bradykinin类似物介导的疾病，如过敏、炎症、自身免疫疾病、休克、疼痛等的使用方法。
• 8-substituted quinazolines, quinoxalines and benzopyridazines
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05922711A1

  公开（公告）日：1999-07-13

  A compound of the formula: ##STR1## wherein --X.sup.3 .dbd.X.sup.2 --X.sup.1 .dbd.N-- is a group of the formula: ##STR2## R.sup.1 is hydrogen or halogen, R.sup.2 is halogen, R.sup.3 is hydrogen, nitro, amino optionally having at least one substituent or a heterocyclic group optionally having at least one substituent, R.sup.4 and R.sup.5 are each hydrogen, or halogen, R.sup.6 and R.sup.8 are 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, R.sup.7 is hydrogen or lower alkyl, A is lower alkylene, and Q is O or N--R.sup.9 is hydrogen or acyl, provided that R.sup.3 is not hydrogen when X.sup.1 is C--R.sup.6, in which R.sup.6 is hydrogen, and pharmaceutically acceptable salts thereof.

  化合物的结构式为：##STR1## 其中--X.sup.3 .dbd.X.sup.2 --X.sup.1 .dbd.N--是以下结构的基团：##STR2## R.sup.1为氢或卤素，R.sup.2为卤素，R.sup.3为氢、硝基、氨基（可选地至少具有一个取代基）或杂环基（可选地至少具有一个取代基），R.sup.4和R.sup.5均为氢或卤素，R.sup.6和R.sup.8均为氢、卤素、低碳基、羟基、低碳硫基、氨基（可选地用低碳基取代）或低碳氧基（可选地用羟基、低碳氧基、氨基、低碳基氨基和芳基（可选地用低碳氧基取代）中的一种取代基取代），R.sup.7为氢或低碳基，A为低碳亚烷基，Q为O或N--，R.sup.9为氢或酰基，但当X.sup.1为C--R.sup.6时，R.sup.3不为氢，其中R.sup.6为氢，以及其药学上可接受的盐。
• 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。
• US06169095A
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  公开号：——

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