1,2,3,9-tetrahydro-3-[hydroxy[5-methyl-1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-9-methyl-4H-carbazol-4-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1,2,3,9-tetrahydro-3-[hydroxy[5-methyl-1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-9-methyl-4H-carbazol-4-one
• 英文别名: 3-[hydroxy-(5-methyl-1-tritylimidazol-4-yl)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
• 化学式: C₃₇H₃₃N₃O₂
• 分子量: 551.688
• InChiKey: OGKLZMVRSPJXKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,3,9-tetrahydro-3-[hydroxy[5-methyl-1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-9-methyl-4H-carbazol-4-one 生成 (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1,2-dihydrocarbazol-4-one
  参考文献：
  名称：

  COATES, IAN HAROLD;BRADSHAW, JOHN;BELL, JAMES ANGUS;HUMBER, DAVID CEDRIC;+

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3,4-四氢-9-甲基-4H-咔唑酮 、 5-methyl-1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde 、 正丁基锂 生成 1,2,3,9-tetrahydro-3-[hydroxy[5-methyl-1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-9-methyl-4H-carbazol-4-one
  参考文献：
  名称：

  COATES, IAN HAROLD;BRADSHAW, JOHN;BELL, JAMES ANGUS;HUMBER, DAVID CEDRIC;+

  摘要：

  DOI：

文献信息

• Tetrahydro carbazolone intermediates
  申请人：Glaxo Group Limited

  公开号：US04822881A1

  公开（公告）日：1989-04-18

  The invention relates to compounds of the general formula (I): ##STR1## wherein Im represents an imidazolyl group of the formula: ##STR2## and the various substituents are defined hereinbelow. The compounds are potent and selective antagonists of the effect of 5-HT at 5-HT.sub.3 receptors and are useful, for example, in the treatment of psychotic disorders, anxiety, and nausea and vomiting.

  这项发明涉及一般式(I)的化合物：##STR1## 其中Im代表一种具有以下式的咪唑基团：##STR2## 各种取代基在此定义。这些化合物是5-HT.sub.3受体上5-HT效应的有效和选择性拮抗剂，例如，在治疗精神障碍、焦虑、恶心和呕吐方面是有用的。
• Tricyclic ketones useful as HT.sub.3 -receptor antagonists
  申请人：Glaxo Group Limited

  公开号：US05202343A1

  公开（公告）日：1993-04-13

  The invention relates to compounds of the general formula (I): ##STR1## wherein Im represents an imidazolyl group of the formula: ##STR2## R.sup.1 represents a hydrogen atom or a group selected from C.sub.1-6 alkyl, C.sub.3-6 alkenyl, C.sub.3-10 alkynyl, C.sub.3-7 cycloalkyl, C.sub.3-7 cycloalkylC.sub.1-4 alkyl, phenyl, phenylC.sub.1-3 alkyl, --CO.sub.2 R.sup.5, --COR.sup.5, --CONR.sup.5 R.sup.6 or --SO.sub.2 R.sup.5 ; R.sup.5 and R.sup.6, which may be the same or different, each represents a hydrogen atom, a C.sub.1-6 alkyl or C.sub.3-7 cycloalkyl group, or a phenyl or phenylC.sub.1-4 alkyl group, in which the phenyl group is optionally substituted by one or more C.sub.1-4 alkyl, C.sub.1-4 alkoxy or hydroxy groups or halogen atoms, with the proviso that R.sup.5 does not represent a hydrogen atom when R.sup.1 represents a group --CO.sub.2 R.sup.5 or --SO.sub.2 R.sup.5 ; one of the groups represented by R.sup.2, R.sup.3 and R.sup.4 is a hydrogen atom or a C.sub.1-6 alkyl, C.sub.3-7 cycloalkyl, C.sub.3-6 alkenyl, phenyl or phenylC.sub.1-3 alkyl group, and each of the other two groups, which may be the same or different, represents a hydrogen atom or a C.sub.1-6 alkyl group; Q represents a hydrogen or a halogen atom, or a hydroxy, C.sub.1-4 alkoxy, phenylC.sub.1-3 alkoxy or C.sub.1-6 alkyl group or a group --NR.sup.7 R.sup.8 or --CONR.sup.7 R.sup.8 ; R.sup.7 and R.sup.8, which may be the same or different, each represents a hydrogen atom or a C.sub.1-4 alkyl or C.sub.3-4 alkenyl group, or together with the nitrogen atom to which they are attached form a saturated 5 to 7 membered ring; n represents 1, 2 or 3; and A-B represents the group CH--CH.sub.2 or C.dbd.CH; and physiologically acceptable salts and solvates thereof. The compounds are potent and selective antagonists of the effect of 5-HT at 5-HT.sub.3 receptors and are useful, for example, in the treatment of psychotic disorders, anxiety, and nausea and vomiting.

  本发明涉及通式（I）的化合物：##STR1## 其中Im表示公式：##STR2##的咪唑基团；R.sup.1表示氢原子或选自C.sub.1-6烷基，C.sub.3-6烯基，C.sub.3-10炔基，C.sub.3-7环烷基，C.sub.3-7环烷基C.sub.1-4烷基，苯基，苯基C.sub.1-3烷基，--CO.sub.2R.sup.5，--COR.sup.5，--CONR.sup.5R.sup.6或--SO.sub.2R.sup.5的基团；其中R.sup.5和R.sup.6，可以相同也可以不同，每个代表氢原子，C.sub.1-6烷基或C.sub.3-7环烷基，或苯基或苯基C.sub.1-4烷基，其中苯基可以选择性地被一个或多个C.sub.1-4烷基，C.sub.1-4烷氧基或羟基或卤原子取代，但有条件的是当R.sup.1代表--CO.sub.2R.sup.5或--SO.sub.2R.sup.5的基团时，R.sup.5不代表氢原子；R.sup.2，R.sup.3和R.sup.4所代表的基团中的一个是氢原子或C.sub.1-6烷基，C.sub.3-7环烷基，C.sub.3-6烯基，苯基或苯基C.sub.1-3烷基，而另外两个基团可以相同也可以不同，每个代表氢原子或C.sub.1-6烷基；Q表示氢原子或卤原子，或羟基，C.sub.1-4烷氧基，苯基C.sub.1-3烷氧基或C.sub.1-6烷基或--NR.sup.7R.sup.8或--CONR.sup.7R.sup.8的基团；其中R.sup.7和R.sup.8，可以相同也可以不同，每个代表氢原子或C.sub.1-4烷基或C.sub.3-4烯基，或与它们所连接的氮原子一起形成饱和的5到7成员环；n表示1、2或3；A-B表示CH--CH.sub.2或C.dbd.CH的基团；以及其生理上可接受的盐和溶剂。这些化合物是5-HT.sub.3受体上5-HT效应的有效和选择性拮抗剂，例如可用于治疗精神疾病、焦虑和恶心呕吐。
• Tetrahydro-imidazolylmethylcarbazolones and analogs thereof for treating
  申请人：Glaxo Group Limited

  公开号：US04859662A1

  公开（公告）日：1989-08-22

  The invention relates to compounds of the general formula (I): ##STR1## wherein Im represents an imidazolyl group of the formula: ##STR2## and the various substituents are defined hereinbelow. The compounds are potent and selective antagonists of the effect of 5-HT at 5-HT.sub.3 receptors and are useful, for example, in the treatment of psychotic disorders, anxiety, and nausea and vomiting.

  该发明涉及一般式（I）的化合物：##STR1## 其中Im代表式的咪唑基：##STR2## 各种取代基在下文中定义。这些化合物是5-HT受体上5-HT的有效和选择性拮抗剂，并且在治疗精神病性障碍、焦虑症和恶心和呕吐等方面是有用的。
• COATES, IAN HAROLD;BRADSHAW, JOHN;BELL, JAMES ANGUS;HUMBER, DAVID CEDRIC;+
  作者：COATES, IAN HAROLD、BRADSHAW, JOHN、BELL, JAMES ANGUS、HUMBER, DAVID CEDRIC、+

  DOI：——

  日期：——
• US4822881A
  申请人：——

  公开号：US4822881A

  公开（公告）日：1989-04-18