N-(5-benzoyl-1H-benzo[d]imidazol-2-yl)-2-(1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)thiazole-4-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(5-benzoyl-1H-benzo[d]imidazol-2-yl)-2-(1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)thiazole-4-carboxamide
• 英文别名: N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• 化学式: C₃₃H₂₉N₇O₄S
• 分子量: 619.704
• InChiKey: AJDHPQVWOMVALM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  164
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  、 4-氯-6,7-二甲氧基喹唑啉 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 N-(5-benzoyl-1H-benzo[d]imidazol-2-yl)-2-(1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)thiazole-4-carboxamide
  参考文献：
  名称：

  A novel class of potent NF-κB signaling inhibitors

  摘要：

  A novel class of NF-kappa B pathway signaling inhibitors was discovered by virtual screening, medicinal chemistry, and QSAR analysis. An initial set of compounds inhibited NF-kappa B signaling in a whole cell reporter gene assay in the micro-molar range. Activity was improved step by step by medicinal chemistry to yield nano-molar signaling inhibitors. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.08.022

文献信息

• PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE
  申请人：STROBL Stefan

  公开号：US20080241100A1

  公开（公告）日：2008-10-02

  The present invention relates to a pharmaceutical composition comprising, (i) a cytokine and, (ii) a compound of the general formula (Ih) or pharmaceutically acceptable salts thereof with an acid or a base, or pharmaceutically acceptable prodrugs or a stereoisomer thereof. Exemplary cytokines are selected from the following group of cytokine families, (i) the four α-helix bundle family, which consists of, (a) the IL-2 subfamily, (b) the interferon (IFN) subfamily and, (c) the IL-10 subfamily, (ii) the IL-1 family, (iii) the IL-17 family and, (iv) chemokines.

  本发明涉及一种药物组合物，包括（i）细胞因子和（ii）一般式（Ih）的化合物或其酸或碱的药学可接受盐，或药学可接受的前药或其立体异构体。示例细胞因子选择自以下细胞因子家族中的一组，（i）四α螺旋束家族，包括（a）IL-2亚家族，（b）干扰素（IFN）亚家族和（c）IL-10亚家族，（ii）IL-1家族，（iii）IL-17家族和（iv）趋化因子。
• Pharmaceutical composition comprising a cytokine
  申请人：Strobl Stefan

  公开号：US20110052532A1

  公开（公告）日：2011-03-03

  The present invention relates to a pharmaceutical composition comprising, (i) a cytokine and, (ii) a compound of the general formula (Ih) or pharmaceutically acceptable salts thereof with an acid or a base, or pharmaceutically acceptable prodrugs or a stereoisomer thereof. Exemplary cytokines are selected from the following group of cytokine families, (i) the four α-helix bundle family, which consists of, (a) the IL-2 subfamily, (b) the interferon (IFN) subfamily and, (c) the IL-10 subfamily, (ii) the IL-1 family, (iii) the IL-17 family and, (iv) chemokines.

  本发明涉及一种药物组合物，包括（i）一种细胞因子和（ii）一种通式（Ih）化合物或其在酸或碱的存在下的药学上可接受的盐，或其药学上可接受的前药或其立体异构体。示例细胞因子选自以下细胞因子家族：（i）四α螺旋束家族，包括(a) IL-2亚家族，(b) 干扰素（IFN）亚家族和(c) IL-10亚家族，（ii）IL-1家族，（iii）IL-17家族和（iv）趋化因子。
• EP1977759A1
  申请人：——

  公开号：EP1977759A1

  公开（公告）日：2008-10-08
• A novel class of potent NF-κB signaling inhibitors
  作者：Johann Leban、Marcel Baierl、Jan Mies、Viola Trentinaglia、Sandra Rath、Kerstin Kronthaler、Kristina Wolf、Astrid Gotschlich、Markus H.J. Seifert

  DOI：10.1016/j.bmcl.2007.08.022

  日期：2007.11

  A novel class of NF-kappa B pathway signaling inhibitors was discovered by virtual screening, medicinal chemistry, and QSAR analysis. An initial set of compounds inhibited NF-kappa B signaling in a whole cell reporter gene assay in the micro-molar range. Activity was improved step by step by medicinal chemistry to yield nano-molar signaling inhibitors. (c) 2007 Published by Elsevier Ltd.