4-苯基-1,7-二氮杂双环[4.3.0]壬-3,5-二烯-2-酮 | 66066-06-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-苯基-1,7-二氮杂双环[4.3.0]壬-3,5-二烯-2-酮
• 英文名称: 2,3-Dihydro-5-oxo-7-phenyl-1H,5H-imidazo<1.2-a>pyridin
• 英文别名: 7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one；5-oxo-7-phenyl-1,2,3,5-tetrahydroimidazo[1,2-a] pyridine；Imidazo(1,2-a)pyridin-5(1H)-one, 2,3-dihydro-7-phenyl-；7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
• CAS: 66066-06-6
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: CWOWGQFIFRQBJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(2-methylsulfanyl-pyrimidin-4-yl)-7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one 、 2,4-二氯嘧啶 、 4-苯基-1,7-二氮杂双环[4.3.0]壬-3,5-二烯-2-酮 生成 1-(6-chloro-pyrazin-2-yl)-7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
  参考文献：
  名称：

  Substituted heterocyclic compounds and methods of use

  摘要：

  本发明涉及嘧啶酮和吡啶酮及其衍生物以及其药学上可接受的盐。还包括一种治疗炎症、类风湿性关节炎、帕吉特氏病、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性或慢性髓性白血病、胰岛素β细胞破坏、骨关节炎、类风湿脊柱炎、痛风性关节炎、炎症性肠病、成人呼吸窘迫综合症（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性反应、接触性皮炎、哮喘、肌肉退化、消瘦症、Reiter综合征、1型糖尿病、2型糖尿病、骨吸收疾病、移植物抗宿主反应、阿尔茨海默病、中风、心肌梗塞、缺血再灌注损伤、动脉粥样硬化、脑外伤、多发性硬化症、脑疟疾、败血症、脓毒性休克综合征、发热、HIV-1、HIV-2、HIV-3、巨细胞病毒（CMV）、流感、腺病毒、疱疹病毒或带状疱疹感染的哺乳动物的方法，包括给予上述化合物的有效量。

  公开号：

  US20050187223A1
• 作为产物：
  描述：

  4-cyano-3-phenyl-but-3-enoic acid ethyl ester 、 邻二氯苯 在 乙二胺 作用下， 生成 4-苯基-1,7-二氮杂双环[4.3.0]壬-3,5-二烯-2-酮
  参考文献：
  名称：

  Nitrogen-containing heterocyclic ring derivatives and analgesic and

  摘要：

  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。

  公开号：

  US04288438A1

文献信息

• Novel fused derivatives of 2-pyridones
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04186200A1

  公开（公告）日：1980-01-29

  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。
• Nitrogen-containing heterocyclic compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04251533A1

  公开（公告）日：1981-02-17

  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, 1/7 and the pharmacologically acceptable non-toxic salts thereof. The compounds described above are strong analgesic anti-inflammatory agents.

  以下是翻译结果： 新颖的含氮杂环化合物，其化学式为##STR1##其中R.sub.1和R.sub.2中的一个代表低碳基，苯基，卤代苯基或低烷氧基苯基，另一个代表氢原子，低碳基或苯基低碳基；R.sub.1和R.sub.2可以结合形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子，低碳基，苯基或苯基低碳基；X代表氧原子，硫原子，亚氨基团或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表低碳基，羟基低碳基，环烷基或苯基低碳基；Y代表乙烯基，可以被低碳基取代，三亚甲基基团，四亚甲基基团，可以被低碳基取代的乙烯基，或##STR3##其中R.sub.5代表氢原子，低碳基，三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是低碳基而另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，1/7和药理学上可接受的非毒性盐。上述化合物是强烈的镇痛抗炎剂。
• Nitrogen-containing heterocyclic ring derivatives
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04284778A1

  公开（公告）日：1981-08-18

  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 a lower alkyl group, a trimethylene group, a tetramethylene group, a vinylene group which may be substituted by 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 compound described above are strong analgesic anti-inflammatory agents.

  这是一种新型含氮杂环化合物，其化学式为##STR1##其中R.sub.1和R.sub.2中的一个代表较低的烷基、苯基、卤代苯基或较低的烷氧基苯基，另一个代表氢原子、较低的烷基或苯基较低烷基；R.sub.1和R.sub.2可以结合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、苯基或苯基较低烷基；X代表氧原子、硫原子、亚胺基或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表较低的烷基、羟基较低烷基、环烷基或苯基较低烷基；Y代表乙烯基，可以被较低的烷基、三亚甲基基团、四亚甲基基团、可以被较低烷基取代的乙烯基或由##STR3##所示的基团取代；R.sub.5代表氢原子、较低的烷基、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，另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，且其药理学上可接受的无毒盐。上述化合物是强的镇痛和抗炎药物。
• [EN] SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES HETEROCYCLIQUES SUBSTITUES ET LEURS METHODES D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2005070932A3

  公开（公告）日：2005-10-27
• KUBO KAZUO; ITO NORIKI; ISOMURA YASUO; SOZU ISAO; HOMMA HIROSHIGE; MURAKA+, YAKUGAKU DZASSI, JAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1979, 99, NO 9, 88+
  作者：KUBO KAZUO、 ITO NORIKI、 ISOMURA YASUO、 SOZU ISAO、 HOMMA HIROSHIGE、 MURAKA+

  DOI：——

  日期：——