[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]-diazepin-2-yl]-methane carboxylic acid morpholide | 113825-82-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: [4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]-diazepin-2-yl]-methane carboxylic acid morpholide
• 英文别名: Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)acetyl)-；2-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylethanone
• CAS: 113825-82-4
• 化学式: C₂₁H₂₀ClN₅O₂S
• 分子量: 441.941
• InChiKey: NTMMXSYCPSXHFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]-triazolo[4,3-a][1,4]diazepin-2-yl]-methane carboxylic acid 生成 [4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]-diazepin-2-yl]-methane carboxylic acid morpholide
  参考文献：
  名称：

  LANGBEIN, ADOLF;LUTTKE, SVEN;WEBER, KARL-HEINZ;HARREUS, ALBRECHT;STRANSKY+

  摘要：

  DOI：

文献信息

• Methods of using new thieno-triazole-1,4-diazepino-2-carboxylic acid
  申请人：Boehringer Ingelheim GmbH

  公开号：US05155103A1

  公开（公告）日：1992-10-13

  The invention relates to new thieno-triazolo-1,4-diazepino-2-carboxylic acid amides of formula I ##STR1## wherein R.sub.1 represents hydrogen, a C.sub.1 -C.sub.4 straight-chained or branched alkyl which can optionally be substituted by halogen, preferably Cl or Br, or by hydroxy, cyclopropyl, C.sub.1 -C.sub.3 alkoxy, preferably methoxy, or halogen, preferably chlorine or bromine; R.sub.2 and R.sub.3, each independently, represent hydrogen, a C.sub.1 -C.sub.4 straight-chained or branched alkyl, C.sub.1 -C.sub.4 hydroxyalkyl or the two groups R.sub.2 and R.sub.3 together with the nitrogen atom represent a 5-, 6- or 7-membered ring which optionally contains a nitrogen, oxygen or sulfur atom as a further heteroatom, the second nitrogen atom optionally being substituted by a C.sub.1 -C.sub.4 alkyl, preferably a methyl group; R.sub.4 represents alpha-pyridyl or a phenyl in which the phenyl ring can be substituted preferably in the 2-position, by methyl, halogen, preferably chlorine or bromine, nitro or trifluoromethyl; n represents one of the numbers 0, 1, 2, 3, 4, 5, 6, 7 or 8; and novel intermediates therefor. The compounds of formula I are useful in the treatment of pathological conditions and diseases in which platelet activating factor is implicated.

  本发明涉及公式I的新型噻吩-三唑-1,4-二氮杂蒽-2-羧酸酰胺，其中R1代表氢、C1-C4直链或支链烷基，该烷基可以选择性地被卤素（优选为氯或溴）或羟基、环丙基、C1-C3烷氧基（优选为甲氧基）或卤素（优选为氯或溴）取代；R2和R3各自独立地代表氢、C1-C4直链或支链烷基、C1-C4羟基烷基或R2和R3两个基团与氮原子一起代表一个5、6或7元环，该环可以选择性地包含一个氮、氧或硫原子作为进一步的杂原子，第二个氮原子可以选择性地被C1-C4烷基（优选为甲基基团）取代；R4代表α-吡啶基或苯基，其中苯环可以在2-位上选择性地被甲基、卤素（优选为氯或溴）、硝基或三氟甲基取代；n代表0、1、2、3、4、5、6、7或8中的一个数字；以及其新颖中间体。公式I的化合物在治疗与血小板活化因子有关的病理状况和疾病中有用。
• Thieno-traizolo-1,4-diazepino-2-carboxylic acid amides
  申请人：Boehringer Ingelheim KG

  公开号：US04968794A1

  公开（公告）日：1990-11-06

  The invention relates to new thieno-traizolo-1,4-diazepino-2-carboxylic acid amides of formula I ##STR1## wherein R.sub.1 represents hydrogen, a C.sub.1 -C.sub.4 straight-chained or branched alkyl which can optionally be substituted by halogen, preferably Cl or Br, or by hydroxy, cyclopropyl, C.sub.1 -C.sub.3 alkoxy, preferably methoxy, or halogen, preferably chlorine or bromine; R.sub.2 and R.sub.3, each independently, represent hydrogen, a C.sub.1 -C.sub.4 straight-chained or branched alkyl, C.sub.1 -C.sub.4 hydroxyalkyl or the two groups R.sub.2 and R.sub.3 together with the nitrogen atom represent a 5-, 6- or 7-membered ring which optionally contains a nitrogen, oxygen or sulfur atom as a further heteroatom, the second nitrogen atom optionally being substituted by a C.sub.1 -C.sub.4 alkyl, preferably a methyl group; R.sub.4 represents alpha-pyridyl or a phenyl in which the phenyl ring can be substituted preferably in the 2-position, by methyl, halogen, preferably chlorine or bromine, nitro or trifluoromethyl; n represents one of the numbers 0, 1, 2, 3, 4, 5, 6, 7 or 8; and novel intermediates therefor. The compounds of formula I are useful in the treatment of pathological conditions and diseases in which platelet activating factor is implicated.

  本发明涉及公式I的新的噻吩并三唑并[1,4]二氮杂环-2-羧酰胺，其中R.sub.1代表氢，C.sub.1-C.sub.4直链或支链烷基，该烷基可选择性地被卤素，优选为氯或溴，或羟基，环丙基，C.sub.1-C.sub.3烷氧基，优选为甲氧基，或卤素，优选为氯或溴所取代; R.sub.2和R.sub.3分别独立地代表氢，C.sub.1-C.sub.4直链或支链烷基，C.sub.1-C.sub.4羟基烷基或R.sub.2和R.sub.3两个基团与氮原子一起代表一个5、6或7成员环，该环可选择性地包含一个氮、氧或硫原子作为另一个杂原子，第二个氮原子可选择性地被C.sub.1-C.sub.4烷基，优选为甲基所取代; R.sub.4代表α-吡啶基或苯基，其中苯环可以选择性地在2位被甲基，卤素，优选为氯或溴，硝基或三氟甲基取代; n代表0、1、2、3、4、5、6、7或8中的一个数字; 以及其新的中间体。公式I的化合物在治疗与血小板活化因子有关的病理状况和疾病方面是有用的。
• Thieno-triazolo-1,4-diazepino-2-carboxylic acid amides
  申请人：Boehringer Ingelheim GmbH

  公开号：US05082839A1

  公开（公告）日：1992-01-21

  The invention relates to new thieno-triazolo-1,4-diazepino-2-carboxylic acid amides of formula I ##STR1## wherein R.sub.1 represents hydrogen, a C.sub.1-C.sub.4 straight-chained or branched alkyl which can optionally be substituted by halogen, preferably C1 or Br, or by hydroxy, cyclopropyl, C.sub.1 -C.sub.3 alkoxy, preferably methoxy, or halogen, preferably chlorine or bromine; R.sub.2 and R.sub.3, each independently, represent hydrogen, a C.sub.1 -C.sub.4 straight-chained or branched alkyl, C.sub.1 -C.sub.4 hydroxyalkyl or the two groups R.sub.2 and R.sub.3 together with the nitrogen atom represent a 5-, 6- or 7-membered ring which optionally contains a nitrogen, oxygen or sulfur atom as a further heteroatom, the second nitrogen atom optionally being substituted by a C.sub.1 -C.sub.4 alkyl, preferably a methyl group; R.sub.4 represents alpha-pyridyl or a phenyl in which the phenyl ring can be substituted preferably in the 2-position, by methyl, halogen, preferably chlorine or bromine, nitro or trifluoromethyl; n represents one of the numbers 0, 1, 2, 3, 4, 5, 6, 7 or 8; and novel intermediates therefor. The compounds of formula I are useful in the treatment of pathological conditions and diseases in which platelet activating factor is implicated.

  本发明涉及一种新的式子I的噻唑并三唑-1,4-二氮杂环-2-羧酸酰胺，其中R1代表氢、C1-C4直链或支链烷基，可选地被卤素，优选为C1或Br，或被羟基，环丙基，C1-C3烷氧基，优选为甲氧基，或卤素，优选为氯或溴取代；R2和R3各自独立地代表氢、C1-C4直链或支链烷基、C1-C4羟基烷基或R2和R3两个基团连同氮原子一起代表一个5-、6-或7-成员环，该环可选地包含氮、氧或硫原子作为进一步的杂原子，第二个氮原子可选地被C1-C4烷基，优选为甲基基团取代；R4代表α-吡啶基或苯基，其中苯环可以被甲基、卤素，优选为氯或溴，硝基或三氟甲基取代，n代表数字0、1、2、3、4、5、6、7或8；以及其新的中间体。式子I的化合物在治疗与血小板活化因子有关的病理状况和疾病方面是有用的。