2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonyl]amino-4-(N-methylaminomethyl)-5-(4-aminophenyl)thiophene-3-carboxylic acid ethyl ester | 577780-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonyl]amino-4-(N-methylaminomethyl)-5-(4-aminophenyl)thiophene-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-(4-aminophenyl)-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-4-(methylaminomethyl)thiophene-3-carboxylate
• CAS: 577780-10-0
• 化学式: C₂₅H₂₇F₂N₃O₄S
• 分子量: 503.57
• InChiKey: BBQMFQUVURBMQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonyl]amino-4-(N-methylaminomethyl)-5-(4-aminophenyl)thiophene-3-carboxylic acid ethyl ester 、 2-乙氧基氯乙烷 在 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 24.0h， 生成 4-[N-(2-ethoxyethyl)-N-methylaminomethyl]-2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonyl]amino-5-(4-aminophenyl)thiophene-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  EP1479684

  摘要：

  公开号：

文献信息

• Thienopyrimidines, process for preparing the same and use thereof
  申请人：Furuya Shuichi

  公开号：US20050222174A1

  公开（公告）日：2005-10-06

  The present invention provides a thienopyrimidine compound, represented by the formula [wherein, R 1 is C 1-4 alkyl, R 2 is (1) phenyl optionally having a substituent such as amino, mono C 1-4 alkylamino and di C 1-4 alkylamino, or (2) a heterocyclic group optionally having a substituent such as amino, mono C 1-4 alkylamino and di C 1-4 alkylamino and the like, R 3 is a hydrogen atom or C 1-4 alkyl, R 4 is C 1-4 alkyl optionally having a substituent such as C 1-4 alkoxy-carbonyl, carboxyl, mono C 1-4 alkylamino and N—C 1-4 alkyl-N—C 7-10 aralkylamino and the like] or a salt thereof, which has antagonistic action for gonadotropin-releasing hormone.

  本发明提供了一种噻唑嘧啶化合物，其表示为[式中，R1为C1-4烷基，R2为(1)苯基，可选地具有氨基，单C1-4烷基氨基和双C1-4烷基氨基等取代基，或(2)杂环基，可选地具有氨基，单C1-4烷基氨基和双C1-4烷基氨基等取代基，R3为氢原子或C1-4烷基，R4为C1-4烷基，可选地具有C1-4烷氧基羰基，羧基，单C1-4烷基氨基和N-C1-4烷基-N-C7-10芳基烷基氨基等取代基]或其盐，其具有促性腺激素释放激素的拮抗作用。
• THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1479684A1

  公开（公告）日：2004-11-24

  The present invention provides a thienopyrimidine compound, represented by the formula    [wherein, R1 is C1-4 alkyl, R2 is (1) phenyl optionally having a substituent such as amino, mono C1-4 alkylamino and di C1-4 alkylamino, or (2) a heterocyclic group optionally having a substituent such as amino, mono C1-4 alkylamino and di C1-4 alkylamino and the like, R3 is a hydrogen atom or C1-4 alkyl, R4 is C1-4 alkyl optionally having a substituent such as C1-4 alkoxy-carbonyl, carboxyl, mono C1-4 alkylamino and N-C1-4 alkyl-N-C7-10 aralkylamino and the like] or a salt thereof, which has antagonistic action for gonadotropin-releasing hormone.

  本发明提供了一种噻吩嘧啶化合物，由式表示 [其中，R1 是 C1-4 烷基，R2 是(1)可选择具有氨基、单 C1-4 烷基氨基和二 C1-4 烷基氨基等取代基的苯基，或(2)可选择具有氨基、单 C1-4 烷基氨基和二 C1-4 烷基氨基等取代基的杂环基团、R3 是氢原子或 C1-4 烷基，R4 是任选具有 C1-4 烷氧基羰基、羧基、单 C1-4 烷基氨基和 N-C1-4 烷基-N-C7-10 芳基氨基等取代基的 C1-4 烷基]或其盐，对促性腺激素释放激素具有拮抗作用。
• US7569570B2
  申请人：——

  公开号：US7569570B2

  公开（公告）日：2009-08-04
• EP1479684
  申请人：——

  公开号：——

  公开（公告）日：——