N-[1-(methylsulfanyl)-2-nitrovinyl]-4-(trifluoromethoxy)aniline

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[1-(methylsulfanyl)-2-nitrovinyl]-4-(trifluoromethoxy)aniline
• 英文别名: N-[(Z)-1-methylsulfanyl-2-nitroethenyl]-4-(trifluoromethoxy)aniline
• 化学式: C10H9F3N2O3S
• 分子量: 294.25
• InChiKey: XMMUMYKHLBTDOY-TWGQIWQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Medical composition containing nitroetheneamine derivative or salt thereof as active constituent
  申请人：ISHIHARA SANGYO KAISHA LTD.

  公开号：US20020198184A1

  公开（公告）日：2002-12-26

  The present invention provides a medical composition containing, as an active constituent, a nitroetheneamine derivative represented by the formula (I): 1 wherein R 1 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic group, or cyano; each of R 2 and R 3 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic group, or -A-R 7 (A is S, SO, SO 2 , SO 3 , CO or CO 2 , and R 7 is hydrogen, or an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic group); or R 2 and R 3 may form N═CR 8 R 9 (each of R 8 and R 9 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclic, alkoxy or aryloxy group, cyano, nitro, or -A-R 7 (A and R 7 are as defined above); each of R 4 and R 5 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclic, alkoxy, amino or aryloxy group, -A-R 7 (A and R 7 are as defined above), cyano, ester, or a hydroxyl group; or R 4 and R 5 may form N═CR 8 R 9 (R 8 and R 9 are as defined above); R 6 is hydrogen, nitro, cyano, -A-R 7 (A and R 7 are as defined above), an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclic, alkoxy or amino group, or halogen; and further R 1 , R 2 , R 3 , R 4 and R 5 may form a ring containing or not containing a hetero atom; or a salt thereof.

  本发明提供了一种医用组合物，其包含一种由式(I)表示的硝基乙烯胺衍生物作为活性成分： 其中，R1为氢、可选取代的烷基、烯基、炔基、环烷基、环烯基、芳基或杂环基，或氰基；R2和R3各自为氢、可选取代的烷基、烯基、炔基、环烷基、环烯基、芳基或杂环基，或-A-R7（A为S、SO、SO2、SO3、CO或CO2，R7为氢或可选取代的烷基、烯基、炔基、环烷基、环烯基、芳基或杂环基）；或R2和R3可形成N═CR8R9（R8和R9各自为氢、可选取代的烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、烷氧基或芳氧基、氰基、硝基或-A-R7（A和R7如上定义））；R4和R5各自为氢、可选取代的烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、烷氧基、氨基或芳氧基、-A-R7（A和R7如上定义）、氰基、酯基或羟基；或R4和R5可形成N═CR8R9（R8和R9如上定义）；R6为氢、硝基、氰基、-A-R7（A和R7如上定义）、可选取代的烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、烷氧基或氨基、卤素；另外，R1、R2、R3、R4和R5可形成含有或不含有杂原子的环；或其盐。
• MEDICAL COMPOSITION CONTAINING NITROETHENEAMINE DERIVATIVE OR SALT THEREOF AS ACTIVE CONSTITUENT
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1116486A1

  公开（公告）日：2001-07-18

  The present invention provides a medical composition containing, as an active constituent, a nitroetheneamine derivative represented by the formula (I): wherein R1 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic group, or cyano; each of R2 and R3 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic group, or -A-R7 (A is S, SO, SO2, SO3, CO or CO2, and R7 is hydrogen, or an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic group) ; or R2 and R3 may form N=CR8R9 (each of R8 and R9 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclic, alkoxy or aryloxy group, cyano, nitro, or -A-R7 (A and R7 are as defined above); each of R4 and R5 is hydrogen, an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclic, alkoxy, amino or aryloxy group, -A-R7 (A and R7 are as defined above), cyano, ester, or a hydroxyl group; or R4 and R5 may form N=CR8R9 (R8 and R9 are as defined above); R6 is hydrogen, nitro, cyano, -A-R7 (A and R7 are as defined above), an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclic, alkoxy or amino group, or halogen; and further R1, R2, R3, R4 and R5 may form a ring containing or not containing a hetero atom; or a salt thereof.

  本发明提供了一种医疗组合物，其活性成分含有由式(I)表示的硝基乙烯胺衍生物： 其中 R1 是氢、任选取代的烷基、烯基、炔基、环烷基、环烯基、芳基或杂环基团或氰基；R2 和 R3 各为氢、任选取代的烷基、烯基、炔基、环烷基、环烯基、芳基或杂环基团，或 -A-R7 （A 为 S、SO、SO2、SO3、CO 或 CO2，R7 为氢或任选取代的烷基、烯基、炔基、环烷基、环烯基、芳基或杂环基团）；或 R2 和 R3 可形成 N=CR8R9 （R8 和 R9 各为氢、任选取代的烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、烷氧基或芳氧基、氰基、硝基或-A-R7（A 和 R7 如上定义）；R4 和 R5 各自为氢、任选取代的烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、烷氧基、氨基或芳氧基、-A-R7（A 和 R7 如上定义）、氰基、酯或羟基；或 R4 和 R5 可形成 N=CR8R9 （R8 和 R9 如上定义）；R6 是氢、硝基、氰基、-A-R7（A 和 R7 如上定义）、任选取代的烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、烷氧基或氨基，或卤素；此外，R1、R2、R3、R4 和 R5 可形成含有或不含有杂原子的环；或其盐。
• US6451792B1
  申请人：——

  公开号：US6451792B1

  公开（公告）日：2002-09-17
• US6596863B2
  申请人：——

  公开号：US6596863B2

  公开（公告）日：2003-07-22