3-(4-methylpyrazol-5-yl)-2-naphthoic acid | 409369-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(4-methylpyrazol-5-yl)-2-naphthoic acid
• 英文别名: 3-(4-methyl-1H-pyrazol-5-yl)naphthalene-2-carboxylic acid
• CAS: 409369-90-0
• 化学式: C₁₅H₁₂N₂O₂
• 分子量: 252.272
• InChiKey: HGOMRLICFHELGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-methylpyrazol-5-yl)-2-naphthoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 苯 为溶剂， 反应 2.0h， 生成
  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
• 作为产物：
  描述：

  3-碘萘-2-羧酸 在 sodium hydroxide 、 硫酸 、 三甲基氯化锡 、 叔丁基锂 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 29.2h， 生成 3-(4-methylpyrazol-5-yl)-2-naphthoic acid
  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
• EP1363993A4
  申请人：——

  公开号：EP1363993A4

  公开（公告）日：2008-11-12
• METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK)
  申请人：Bristol-Myers Squibb Company

  公开号：EP1363993A2

  公开（公告）日：2003-11-26