N,N,4-三甲基-1H-咪唑-1-甲酰胺 | 42252-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N,N,4-三甲基-1H-咪唑-1-甲酰胺
• 英文名称: 1-Dimethylcarbamoyl-4-methylimidazol
• 英文别名: 1-(dimethylcarbamoyl)-4-methylimidazole；4-methyl-imidazole-1-carboxylic acid dimethylamide；N,N,4-Trimethyl-1H-imidazole-1-carboxamide；N,N,4-trimethylimidazole-1-carboxamide
• CAS: 42252-33-5
• 化学式: C₇H₁₁N₃O
• mdl: MFCD18808486
• 分子量: 153.184
• InChiKey: SJPPMWFYBQYDCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N,4-三甲基-1H-咪唑-1-甲酰胺 生成 5-Bromo-3-[(4-methylimidazol-1-yl)methyl]-1,2-benzoxazole
  参考文献：
  名称：

  BOWMAN, ROBERT M.

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲氨基甲酰氯 生成 N,N,4-三甲基-1H-咪唑-1-甲酰胺
  参考文献：
  名称：

  BOWMAN, ROBERT M.

  摘要：

  DOI：

文献信息

• Alpha-heterocyclc substituted tolunitriles
  申请人：Ciba-Geigy Corporation

  公开号：US04978672A1

  公开（公告）日：1990-12-18

  The invention is concerned with aromatase inhibiting compounds of formula I ##STR1## wherein R and Ro represent hydrogen or lower alkyl; or R and Ro located on adjacent carbon atoms and together when combined with the benzene ring to which they are attached form a naphthalene or tetrahydronaphthalene ring; R.sub.1 and R.sub.2 independently represent hydrogen, lower alkyl, (lower alkyl, aryl or aryl-lower alkyl)-thio, lower alkenyl, aryl, aryl-lower alkyl, C.sub.3 -C.sub.6 -cycloalkyl, or C.sub.3 -C.sub.6 -cycloalkyl-lower alkyl; or R.sub.1 and R.sub.2 combined represent lower alkylidene, mono- or di-aryl-lower alkylidene; R.sub.1 and R.sub.2 combined also represent C.sub.4 -C.sub.6 -straight chain alkylene, lower alkyl-substituted straight chain alkylene or ortho-phenylene bridged-C.sub.2 -C.sub.4 -straight chain alkylene, each forming with the carbon atom attached thereto a corresponding optionally substituted or benzo-fused 5, 6 or 7-membered ring; W represents 1-imidazolyl, 1-(1,2,4- or 1,3,4)-triazolyl or 3-pyridyl; or W represents 1-imidazolyl, 1-(1,2,4 or 1,3,4)-triazolyl or 3-pyridyl substituted by lower alkyl; and pharmaceutically acceptable salts thereof.

  该发明涉及式I的芳香化酶抑制化合物##STR1##其中R和Ro代表氢或较低的烷基；或R和Ro位于相邻的碳原子上，当与它们连接的苯环结合时形成萘或四氢萘环；R.sub.1和R.sub.2独立地代表氢、较低的烷基、(较低的烷基、芳基或芳基-较低的烷基)-硫、较低的烯基、芳基、芳基-较低的烷基、C.sub.3-C.sub.6-环烷基或C.sub.3-C.sub.6-环烷基-较低的烷基；或R.sub.1和R.sub.2结合代表较低的烷基亚甲基、单芳基或双芳基-较低的烷基亚甲基；R.sub.1和R.sub.2结合还代表C.sub.4-C.sub.6-直链烷基、较低的烷基取代的直链烷基或邻苯二甲基桥联的C.sub.2-C.sub.4-直链烷基，每个与其连接的碳原子形成相应的可选择取代或苯并5、6或7-成员环；W代表1-咪唑基、1-(1,2,4-或1,3,4)-三唑基或3-吡啶基；或W代表1-咪唑基、1-(1,2,4或1,3,4)-三唑基或3-吡啶基，其被较低的烷基取代；以及其药学上可接受的盐。
• Alpha-heterocycle substituted tolunitriles
  申请人：Ciba-Geigy Corporation

  公开号：US04749713A1

  公开（公告）日：1988-06-07

  The invention is concerned with aromatase inhibiting compounds of formula I ##STR1## where R and Ro represent hydrogen or lower alkyl; or R and Ro located on adjacent carbon atoms and together when combined with the benzene ring to which they are attached form a naphthalene or tetrahydronaphthalene ring; R.sub.1 and R.sub.2 independently represent hydrogen, lower alkyl, (lower alkyl, aryl or aryl-lower alkyl)-thio, lower alkenyl, aryl, aryl-lower alkyl, C.sub.3 -C.sub.6 -cycloalkyl, or C.sub.3 -C.sub.6 -cycloalkyl-lower alkyl; or R.sub.1 and R.sub.2 combined represent lower alkylidene, mono- or di-aryl-lower alkylidene; R.sub.1 and R.sub.2 combined also represent C.sub.4 -C.sub.6 -straight chain alkylene, lower alkyl-substituted straight chain alkylene or ortho-phenylene bridged-C.sub.2 -C.sub.4 -straight chain alkylene, each forming with the carbon atom attached thereto a corresponding optionally substituted or benzo-fused 5, 6 or 7-membered ring; W represents 1-imidazolyl, 1-(1,2,4- or 1,3,4)-triazolyl or 3-pyridyl; or W represents 1-imidazolyl, 1-(1,2,4 or 1,3,4)-triazolyl or 3-pyridyl substituted by lower alkyl; and pharmaceutically acceptable salts thereof.

  本发明涉及化学式I的芳香化酶抑制化合物##STR1##其中R和Ro代表氢或较低的烷基；或R和Ro位于相邻的碳原子上，当与它们连接的苯环结合时形成萘或四氢萘环；R.sub.1和R.sub.2独立表示氢、较低的烷基、(较低的烷基、芳基或芳基-较低的烷基)-硫、较低的烯基、芳基、芳基-较低的烷基、C.sub.3 -C.sub.6 -环烷基或C.sub.3 -C.sub.6 -环烷基-较低的烷基；或R.sub.1和R.sub.2结合表示较低的烷基亚甲基、单芳基或双芳基-较低的烷基亚甲基；R.sub.1和R.sub.2结合还表示C.sub.4 -C.sub.6 -直链烷基、较低的烷基取代的直链烷基或邻苯二甲基桥联的C.sub.2 -C.sub.4 -直链烷基，每个与其连接的碳原子形成相应的可选择取代或苯并-5、6或7-成员环；W代表1-咪唑基、1-(1,2,4-或1,3,4)-三唑基或3-吡啶基；或W代表1-咪唑基、1-(1,2,4或1,3,4)-三唑基或3-吡啶基，其取代为较低的烷基；以及其药学上可接受的盐。
• Certain 1,2-benzisoxazole derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04859691A1

  公开（公告）日：1989-08-22

  Disclosed are 1,2-benzisoxazole and 1,2-benzisothiazole derivatives represented by formula I ##STR1## wherein X represents oxygen or sulfur; Z rep;esents carbon (CH) so as to complete the imidazol-1-yl ring radical or Z represents nitrogen (N) so as to complete the 1,2,4-triazol-1-yl ring radical; R.sub.1 represents hydrogen, lower alkenyl, lower alkynyl, aryl-lower alkyl or lower alkyl; R.sub.2 represents hydrogen, lower alkenyl, lower alkynyl, aryl-lower alkyl or lower alkyl; or R.sub.1 and R.sub.2 combined represent lower alkylene; or R.sub.1 combined with R.sub.5 located on the Z-carbon atom of the imidazolyl radical represents C.sub.2 -C.sub.4 -alkylene; R.sub.3 and R.sub.4 independently represent hydrogen, lower alkyl, cycloalkyl, halogen, trifluoromethyl, cyano, nitro, amino, hydroxy, lower alkanoyloxy, carbocyclic aroyloxy, lower alkoxy, or carbocyclic aryl; or R.sub.3 and R.sub.4, together when located on adjacent carbon atoms, represent lower alkylenedioxy; or R.sub.3 and R.sub.4, together when located on the carbon atoms to which attached a benzo-fused or C.sub.5 -C.sub.7 -cycloalka-fused ring, respectively; R.sub.5 located on carbon represents hydrogen, lower alkyl or hydroxy-lower alkyl; R.sub.6 located on carbon represents hydrogen or lower alkyl; or when Z represents carbon, R.sub.5 located on the Z-carbon atom combined with R.sub.6 located on the adjacent carbon atom represents C.sub.3 -C.sub.5 -alkylene; and pharmaceutically acceptable salts thereof; which are active in mammals as anticonvulsant agents.

  本发明涉及表示为式I的1,2-苯并异噁唑和1,2-苯并异硫唑衍生物 ##STR1## 其中X代表氧或硫; Z代表碳(CH)，以完成咪唑-1-基环或Z代表氮(N)，以完成1,2,4-三唑-1-基环; R.sub.1代表氢，低烯丙基，低炔基，芳基-低烷基或低烷基; R.sub.2代表氢，低烯丙基，低炔基，芳基-低烷基或低烷基; 或R.sub.1和R.sub.2组合表示低烷基; 或R.sub.1与位于咪唑基上的Z-碳原子上的R.sub.5组合表示C.sub.2-C.sub.4-烷基; R.sub.3和R.sub.4独立地表示氢，低烷基，环烷基，卤素，三氟甲基，氰基，硝基，氨基，羟基，低烷酰氧基，环烷基酰氧基，低烷氧基或环烷基; 或当位于相邻碳原子上时，R.sub.3和R.sub.4组合表示低烷二氧基; 或当位于连接苯并融合或C.sub.5-C.sub.7-环烷融合环的碳原子上时，R.sub.3和R.sub.4组合分别表示; 位于碳上的R.sub.5表示氢，低烷基或羟基-低烷基; 位于碳上的R.sub.6表示氢或低烷基; 或当Z表示碳时，位于Z-碳原子上的R.sub.5与位于相邻碳原子上的R.sub.6组合表示C.sub.3-C.sub.5-烷基; 及其药学上可接受的盐; 作为哺乳动物的抗惊厥剂具有活性。
• Certain 1,2-benzisoxazole and 1,2-benzisothiazole derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04957931A1

  公开（公告）日：1990-09-18

  Disclosed are 1,2-benzisoxazole and 1,2-benzisothiazole derivatives represented by formula I ##STR1## wherein X represents oxygen or sulfur; Z represents carbon (CH) so as to complete the imidazol-1-yl ring radical or Z represents nitrogen (N) so as to complete the 1,2,4-triazol-l-yl ring radical; R.sub.1 represents hydrogen, lower alkenyl, lower alkynyl, aryl-lower alkyl or lower alkyl; R.sub.2 represents hydrogen, lower alkenyl, lower alkynyl, aryl-lower alkyl or lower alkyl; or R.sub.1 and R.sub.2 combined represent lower alkylene; or R.sub.1 combined with R.sub.5 located on the Z-carbon atom of the imidazolyl radical represents C.sub.2 -C.sub.4 -alkylene; R.sub.3 and R.sub.4 independently represent hydrogen, lower alkyl, cycloalkyl, halogen, trifluoromethyl, cyano, nitro, amino, hydroxy, lower alkanoyloxy, carbocyclic aroyloxy, lower alkoxy, or carbocyclic aryl; or R.sub.3 and R.sub.4, together when located on adjacent carbon atoms, represent lower alkylenedioxy; or R.sub.3 and R.sub.4, together when located on the carbon atoms to which attached a benzo-fused or C.sub.5 -C.sub.7 -cycloalka-fused ring, respectively; R.sub.5 located on carbon represents hydrogen, lower alkyl or hydroxy-lower alkyl; R.sub.6 located on carbon represents hydrogen or lower alkyl; or when Z represents carbon, R.sub.5 located on the Z-carbon atom combined with R.sub.6 located on the adjacent carbon atom represents C.sub.3 -C.sub.5 -alkylene; and pharmaceutically acceptable salts thereof; which are active in mammals as anticonvulsant agents.

  本发明涉及一种公式I所表示的1,2-苯并异噁唑和1,2-苯并异硫唑衍生物，其中X代表氧或硫；Z代表碳(CH)，以完成咪唑-1-基环基，或Z代表氮(N)，以完成1,2,4-三唑-1-基环基；R.sub.1代表氢、低烯基、低炔基、芳基-低烷基或低烷基；R.sub.2代表氢、低烯基、低炔基、芳基-低烷基或低烷基；或R.sub.1和R.sub.2组合代表低烷基；或R.sub.1与位于咪唑基上的Z-碳原子上的R.sub.5组合代表C.sub.2-C.sub.4-烷基；R.sub.3和R.sub.4独立地代表氢、低烷基、环烷基、卤素、三氟甲基、氰基、硝基、氨基、羟基、低烷酰氧基、碳环芳基氧基、低烷氧基或碳环芳基；或当R.sub.3和R.sub.4位于相邻的碳原子上时，它们组合代表低烷基二氧基；或当R.sub.3和R.sub.4分别位于连接苯并融合或C.sub.5-C.sub.7-环烷基融合环的碳原子上时；位于碳上的R.sub.5代表氢、低烷基或羟基-低烷基；位于碳上的R.sub.6代表氢或低烷基；或当Z代表碳时，位于Z-碳原子上的R.sub.5与位于相邻碳原子上的R.sub.6组合代表C.sub.3-C.sub.5-烷基；以及其药学上可接受的盐；它们在哺乳动物中作为抗惊厥剂具有活性。
• 1,2-Benzisoxazole und 1,2-Benzisothiazole
  申请人：CIBA-GEIGY AG

  公开号：EP0298921A1

  公开（公告）日：1989-01-11

  Es werden neue 1,2-Benzisoxazole und 1,2-Benzisothiazole der Formel beschrieben, worin X Sauerstoff oder Schwefel Z die Gruppe -CH= zur Bildung der Imidazol-1-yl-Gruppe oder ein Stickstoffheteroatom zur Bildung der 1,2,4-Triazol-1-yl-Gruppe ist. Die neuen Verbindungen sind als Antiepileptika wirksam.

  新的 1,2-苯并异噁唑和 1,2-苯并异噻唑，其式如下 其中 X 是氧或硫 Z 是-CH=基团，形成咪唑-1-基团，或一个氮杂原子，形成 1,2,4-三唑-1-基团。这些新化合物作为抗癫痫剂非常有效。