2-溴甲基-5-硝基苯并呋喃 | 118679-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 2-溴甲基-5-硝基苯并呋喃
• 英文名称: 2-bromomethyl-5-nitro-benzofuran
• 英文别名: 2-bromomethyl-5-nitrobenzofuran；2-(Bromomethyl)-5-nitro-1-benzofuran
• CAS: 118679-18-8
• 化学式: C₉H₆BrNO₃
• 分子量: 256.056
• InChiKey: SFJHMWIZTGVIBR-UHFFFAOYSA-N

物化性质

• 沸点：
  356.7±27.0 °C(Predicted)
• 密度：
  1.733±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-甲基烯丙基胺 、 2-溴甲基-5-硝基苯并呋喃 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 23.5h， 以86%的产率得到N-methyl-N-[(5-nitro-1-benzofuran-2-yl)methyl]prop-2-en-1-amine
  参考文献：
  名称：

  WO2007/30680

  摘要：

  公开号：
• 作为产物：
  描述：

  (5-硝基-1-苯并呋喃-2-基)甲醇 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以83%的产率得到2-溴甲基-5-硝基苯并呋喃
  参考文献：
  名称：

  WO2007/30680

  摘要：

  公开号：

文献信息

• [EN] SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION<br/>[FR] INHIBITEURS DIRECTS À PETITES MOLÉCULES D'INTERACTION PROTÉINE-PROTÉINE DE KEAP1-NRF2
  申请人：UNIV RUTGERS

  公开号：WO2020150446A1

  公开（公告）日：2020-07-23

  This patent document diclsoes novel compounds and methods of preventing or treating diseases or conditions related to Keapl-Nrf2 interaction activity by use of the novel compounds. As direct inhibitors of Keapl-Nrf2 interaction, the compounds disclosed herein are more specific and free of various undesirable effects than existing indirect inhibitors, and are potential dmg candidates of chemopreventive and therapeutic agents for treatment of various diseases or conditions involving oxidative stress and/or inflammation, including but not limited to cancers, diabetes, Alzheimer's, Parkinson's, and inflammatory bowel disease including ulcerative colitis.

  这项专利文件披露了一种新颖的化合物和方法，通过使用这些新颖的化合物来预防或治疗与Keapl-Nrf2相互作用活性相关的疾病或状况。作为Keapl-Nrf2相互作用的直接抑制剂，本文披露的化合物比现有的间接抑制剂更具特异性，且不受各种不良影响，是潜在的化学预防和治疗剂的候选人，用于治疗涉及氧化应激和/或炎症的各种疾病或状况，包括但不限于癌症、糖尿病、阿尔茨海默病、帕金森病和溃疡性结肠炎等。
• Sulfonamide anti-arrhythmic agents
  申请人：Pfizer Inc.

  公开号：US04956382A1

  公开（公告）日：1990-09-11

  A series of novel N-alkyl-N-(alkanesulphonamidoheterocyclicmethyl)-4-alkanesulphonamidophene tyl mines have been prepared, including their pharmaceutically acceptable salts and various key novel intermediates therefor. The heterocyclic moiety present in these compounds is a benzo-fused heterocyclic group derived from either benzofuran, benzothiophene, benzoxazole or quinoline, and it is attached to the adjacent methyl group of the molecule by means of the available ring carbon atom which is situated alpha to the hetero atom. These particular compounds are useful in therapy as highly effective anti-arrhythmic agents and therefore, are of value in the treatment of various cardiac arrhythmias. Preferred member compounds include N-methyl-N-(5-methanesulphonamidobenzofur-2-ylmethyl)-4-methanesulphonamid op henethylamine and N-methyl-N-(6-methanesulphonamidoquinol-2-ylmethyl)-4-methanesulphonamidop hen thylamine. Methods for preparing all these compounds from known starting materials are provided.

  已制备了一系列新颖的N-烷基-N-(烷磺酰胺杂环甲基)-4-烷磺酰胺苯基矿物，包括它们的药用可接受的盐和各种关键的新颖中间体。这些化合物中存在的杂环基团是来源于苯并呋喃、苯并噻吩、苯并噁唑或喹啉的苯并杂环基团，并且通过可用的环碳原子连接到分子的相邻甲基基团，该环碳原子位于异原子的α位。这些特定化合物在治疗中非常有效，可用作高效的抗心律失常药物，因此对于治疗各种心脏心律失常具有价值。首选的成员化合物包括N-甲基-N-(5-甲磺酰胺基苯并呋喃-2-基甲基)-4-甲磺酰胺苯基乙胺和N-甲基-N-(6-甲磺酰胺基喹啉-2-基甲基)-4-甲磺酰胺苯基乙胺。提供了从已知起始材料制备所有这些化合物的方法。
• Heterocyclymethylamino derivatives of cyclobutene-3,4-diones
  申请人：American Home Products Corporation

  公开号：US05872139A1

  公开（公告）日：1999-02-16

  The compounds of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are, independently, hydrogen, straight chain alkyl, branched chain alkyl, cycloalkyl, bicycloalkyl or aralkyl, wherein the aromatic moiety of the aralkyl group may be optionally substituted with one to three straight chain alkyl, halogen, nitro, cyano, alkoxy, alkoxycarbonyl, trifluoromethyl or trifluoromethoxy groups; R.sub.3 is hydrogen, formyl, alkanoyl, alkenoyl, alkylsulfonyl, aroyl, arylalkenoyl, arylsulfonyl, arylalkanoyl or arylalkylsulfonyl; A is selected from the group consisting of: ##STR2## wherein n is 0 or 1; R.sub.4, R.sub.5 and R.sub.6 are, independently, cyano, nitro, amino, alkyl, perfluoroalkyl, alkoxy, perfluoroalkoxy, alkylamino, dialkylamino, sulfamyl, alkylsulfonamido, arylsulfonamido, alkylcarboxamido, arylcarboxamido, alkanoyl, alkylsulfonyl, perfluoroalkylsulfonyl, arylsulfonyl, chloro, bromo, fluoro, iodo, 1-imidazolyl, carboxyl or hydrogen; or a pharmaceutically acceptable salt thereof, relax smooth muscles.

  该化合物的公式为：##STR1## 其中R.sub.1和R.sub.2分别是氢、直链烷基、支链烷基、环烷基、双环烷基或芳基烷基，其中芳基烷基群的芳香基团可以选择性地被一个到三个直链烷基、卤素、硝基、氰基、烷氧基、烷氧羰基、三氟甲基或三氟甲氧基基团取代；R.sub.3是氢、甲酰、烷酰、烯酰、烷基磺酰、芳酰、芳基烯酰、芳基磺酰、芳基烷酰或芳基烷基磺酰；A选自以下组合之一：##STR2## 其中n为0或1；R.sub.4、R.sub.5和R.sub.6分别是氰基、硝基、氨基、烷基、全氟烷基、烷氧基、全氟烷氧基、烷基氨基、二烷基氨基、磺胺基、烷基磺酰胺、芳基磺酰胺、烷基羧酰胺、芳基羧酰胺、烷酰、烷基磺酰、全氟烷基磺酰、芳基磺酰、氯、溴、氟、碘、1-咪唑基、羧基或氢；或其药学上可接受的盐，用于放松平滑肌。
• Benzazepine antiarrhythmic agents
  申请人：Pfizer Inc.

  公开号：US04822793A1

  公开（公告）日：1989-04-18

  Compounds of the formula: ##STR1## or a salt thereof, wherein "Het" is a group of the formula: ##STR2## in which R.sup.1 is attached to position "a" or "b" of the benzene ring and R and R.sup.1, which are the same, are --NHSO.sub.2 (C.sub.1 -C.sub.4 alkyl), --NH.sub.2 or --NO.sub.2. The compounds in which R and R.sup.1 are --NHSO.sub.2 (C.sub.1 -C.sub.4 alkyl) are cardiac antiarrhythmic agents. The compounds in which R and R.sup.1 are --NO.sub.2 and --NH.sub.2 are synthetic intermediates.

  该公式化合物为：##STR1## 或其盐，其中"Het"是一个具有以下结构的基团：##STR2## 其中R.sup.1 附着在苯环的"a"或"b"位置，而R和R.sup.1是相同的，为--NHSO.sub.2 (C.sub.1 -C.sub.4 烷基)，--NH.sub.2 或--NO.sub.2。其中R和R.sup.1均为--NHSO.sub.2 (C.sub.1 -C.sub.4 烷基)的化合物为心脏抗心律失常剂。而R和R.sup.1均为--NO.sub.2 和--NH.sub.2的化合物为合成中间体。
• Quinolyl substituted indane sulfonamides and their use as
  申请人：Pfizer Inc.

  公开号：US04829071A1

  公开（公告）日：1989-05-09

  Novel 5-alkanesulphonamido-2-[N-(alkanesulphonamidoheterocyclicmethyl-N-methylam ino]indane compounds have been prepared, including their pharmaceutically acceptable salts and various key novel intermediates therefor. The heterocyclic moiety present in these compounds is a benzofused heterocyclic group derived from either benzofuran or quinoline, and it is attached to the adjacent methyl group of the molecule by means of the available ring carbon atom which is situated alpha to the hetero atom. These compounds are useful in therapy as anti-arrhythmic agents and therefore, are of value in the treatment of various cardiac arrhythmias. The most preferred member compound is 5-methylanesulphonamido-2-[N-(5-methanesulphonamidobenzofur-2-ylmethyl)-N- methylamino]idane. Methods for preparing these compounds from known starting materials are provided.

  已制备了新颖的5-烷基磺酰胺基-2-[N-(烷基磺酰胺基杂环甲基-N-甲基氨基]茚烷化合物，包括它们的药用盐和各种关键的新颖中间体。这些化合物中的杂环基团是从苯并呋喃或喹啉中派生的苯并杂环基团，并且通过位于异原子α位的可用环碳原子连接到分子的相邻甲基基团上。这些化合物在治疗中作为抗心律失常药物具有用途，因此对于治疗各种心脏心律失常具有价值。最受欢迎的成员化合物是5-甲基磺酰胺基-2-[N-(5-甲烷磺酰胺基苯并呋喃-2-基甲基)-N-甲基氨基]茚烷。提供了从已知起始材料制备这些化合物的方法。