1-Methyl-4-(2-N-methylaminoethylamino)benzo[g]imidazo[1,2-a]quinoxaline Hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-Methyl-4-(2-N-methylaminoethylamino)benzo[g]imidazo[1,2-a]quinoxaline Hydrochloride
• 英文别名: N-methyl-N'-(12-methyl-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl)ethane-1,2-diamine;hydrochloride
• 化学式: C₁₈H₁₉N₅*ClH
• 分子量: 341.843
• InChiKey: QUJPNNBYBPMUCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-dichlorobenzo[g]quinoxaline 在 硫酸 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 23.5h， 生成 1-Methyl-4-(2-N-methylaminoethylamino)benzo[g]imidazo[1,2-a]quinoxaline Hydrochloride
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-amino derivatives of benzimidazoquinoxaline, benzimidazoquinoline, and benzopyrazoloquinazoline as potent IKK inhibitors

  摘要：

  We have recently identified BMS-345541 (1) as a highly selective and potent inhibitor of IKK-2 (IC50 = 0.30 mu M), which however was considerably less potent against IKK-1 (IC50 = 4.0 mu M). In order to further explore the SAR around the imidazoquinoxaline tricyclic structure of 1, we prepared a series of tetracyclic analogues (7, 13, and 18). The synthesis and biological activities of these potent IKK inhibitors are described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.017

文献信息

• Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same
  申请人：——

  公开号：US20020072523A1

  公开（公告）日：2002-06-13

  Compounds of formula (I), or pharmaceutically-acceptable salts thereof, are useful in treating inflammatory and immune diseases and disorders, 1 wherein X, Y 1 , Y 2 , and R 2 -R 4 are as defined in the specification.

  式(I)的化合物，或其药用盐，在治疗炎症和免疫性疾病和紊乱方面具有用途，其中X、Y1、Y2和R2-R4如规范中所定义。
• Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK)
  申请人：——

  公开号：US20030022898A1

  公开（公告）日：2003-01-30

  The present invention describes methods of preventing and treating inflammatory and immune-related diseases or disorders using inhibitors of I&kgr;B kinase (IKK). Also described are IKK inhibitors effective for the prevention and treatment of inflammatory and immune-related diseases or disorders, as demonstrated in vivo. Further embodiments of the present invention relate to a specific IKK inhibitors, 4(2′-aminoethyl)amino-1,8-dimethylimidazo(1,2-a) quinoxaline and compounds of formula (I), salts thereof, and pharmaceutical compositions.

  本发明描述了使用I&kgr;B激酶（IKK）抑制剂预防和治疗炎症和免疫相关疾病或疾病的方法。还描述了在体内证明有效预防和治疗炎症和免疫相关疾病或疾病的IKK抑制剂。本发明的进一步实施方式涉及特定的IKK抑制剂，即4（2'-氨基乙基）氨基-1,8-二甲基咪唑并（1,2-a）喹啉及其式（I）的化合物，其盐和制药组合物。
• AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME
  申请人：Bristol-Myers Squibb Company

  公开号：EP1325009A2

  公开（公告）日：2003-07-09
• US6869956B2
  申请人：——

  公开号：US6869956B2

  公开（公告）日：2005-03-22
• US6960585B2
  申请人：——

  公开号：US6960585B2

  公开（公告）日：2005-11-01