2-Cyanmethylen-cyclohexan-carbonsaeure-(1)-aethylester | 25341-92-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Cyanmethylen-cyclohexan-carbonsaeure-(1)-aethylester
• 英文别名: 2-cyanomethylene-cyclohexane-1-carboxylic acid ethyl ester；ethyl (2Z)-2-(cyanomethylidene)cyclohexane-1-carboxylate
• CAS: 25341-92-8
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: FLVKZVPPUWJDEC-CLFYSBASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-cyanomethyl-1-cyclohexene-1-carboxylic acid ethyl ester 、 2-Cyanmethylen-cyclohexan-carbonsaeure-(1)-aethylester 、 N-甲基乙二胺 以 乙酸乙酯 、 邻二氯苯 、 苯 为溶剂， 生成 1-methyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one
  参考文献：
  名称：

  Novel fused derivatives of 2-pyridones

  摘要：

  根据以下公式所示的新颖含氮杂环化合物：其中R.sub.1和R.sub.2中的一个代表较低的烷基基团、苯基、卤苯基团或较低的烷氧基苯基团，另一个代表氢原子、较低的烷基基团或苯较低的烷基基团；所述的R.sub.1和R.sub.2可以结合在一起形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、较低的烷基基团、苯基或苯较低的烷基基团；X代表氧原子、硫原子、亚胺基团或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表较低的烷基基团、羟基较低的烷基基团、环烷基基团或苯较低的烷基基团；Y代表一个乙烯基，可以被较低的烷基基团取代，一个三亚甲基基团，一个四亚甲基基团，一个乙烯基可以被较低的烷基基团取代，或者##STR3##其中R.sub.5代表氢原子、较低的烷基基团、三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是较低的烷基基团，另一个是氢原子时，X是由##STR4##所示的基团，Y是一个乙烯基，以及其药理学上可接受的无毒盐。上述化合物是强镇痛抗炎剂。

  公开号：

  US04186200A1

文献信息

• Nitrogen-containing heterocyclic ring derivatives and analgesic and
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04288438A1

  公开（公告）日：1981-09-08

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein one of R.sub.1 and R.sub.2 represents a lower alkyl group, a phenyl group, a halophenyl group, or a lower alkoxyphenyl group and the other of them represents a hydrogen atom, a lower alkyl group, or a phenyl lower alkyl group; said R.sub.1 and R.sub.2 may combine with each other to form a trimethylene group or a tetramethylene group; R.sub.3 represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl lower alkyl group; X represents an oxygen atom, a sulfur atom, an imino group, or a group shown by ##STR2## (wherein m represents 1 or 2 and R.sub.4 represents a lower alkyl group, a hydroxy lower alkyl group, a cycloalkyl group or a phenyl lower alkyl group); and Y represents an ethylene group which may be substituted by lower alkyl group, a trimethylene group, a tetramethylene group, a vinylene group which may be substituted by a lower alkyl group, or ##STR3## (wherein R.sub.5 represents a hydrogen atom, a lower alkyl group, a trifluoromethyl group, or a phenyl group); said X is the group shown by ##STR4## when one of said R.sub.1 and R.sub.2 is a lower alkyl group and the other is a hydrogen atom, and said Y is an ethylene group, and the pharmacologically acceptable non-toxic salts thereof. The compounds described above are strong analgesic anti-inflammatory agents.

  根据下面的公式所示的新型含氮杂环化合物，其中R.sub.1和R.sub.2中的一个代表低烷基基团、苯基、卤苯基或低烷氧基苯基，另一个代表氢原子、低烷基基团或苯低烷基基团；所述的R.sub.1和R.sub.2可以结合在一起形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、低烷基基团、苯基或苯低烷基基团；X代表氧原子、硫原子、亚胺基团或由##STR2##所示的基团（其中m代表1或2，R.sub.4代表低烷基基团、羟基低烷基基团、环烷基团或苯基低烷基基团）；Y代表乙烯基，可以被低烷基基团、三亚甲基基团、四亚甲基基团、乙烯基取代，或者##STR3##（其中R.sub.5代表氢原子、低烷基基团、三氟甲基基团或苯基）；当R.sub.1和R.sub.2中的一个是低烷基基团，另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，以及其药理学上可接受的无毒盐。上述描述的化合物是强效的镇痛抗炎药物。
• Heterotricyclic metalloprotease inhibitors
  申请人：Gege Christian

  公开号：US20080207607A1

  公开（公告）日：2008-08-28

  The present invention relates generally to azatriocyclic containing pharmaceutical agents, and in particular, to azatricyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of azatricyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
• Heterotricyclic Metalloprotease Inhibitors
  申请人：Gege Christian

  公开号：US20100087420A1

  公开（公告）日：2010-04-08

  The present invention relates generally to azatriocyclic containing pharmaceutical agents, and in particular, to azatricyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of azatricyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
• US4186200A
  申请人：——

  公开号：US4186200A

  公开（公告）日：1980-01-29
• US4251533A
  申请人：——

  公开号：US4251533A

  公开（公告）日：1981-02-17