4-[3-(3,5-dichlorophenyl)-1-(2-naphthyl)-1H-pyrazol-5-yl]-N-[4-(dimethylamino)butyl]butanamide | 907190-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[3-(3,5-dichlorophenyl)-1-(2-naphthyl)-1H-pyrazol-5-yl]-N-[4-(dimethylamino)butyl]butanamide
• 英文别名: 4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yl)-N-(4-(dimethylamino)butyl)butanamide；4-[5-(3,5-dichlorophenyl)-2-naphthalen-2-ylpyrazol-3-yl]-N-[4-(dimethylamino)butyl]butanamide
• CAS: 907190-46-9
• 化学式: C₂₉H₃₂Cl₂N₄O
• 分子量: 523.505
• InChiKey: UBLCHCZJUZLTNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-bromo-3-(3,5-dichlorophenyl)-1-(2-naphthyl)-1H-pyrazole 在 palladium on activated charcoal 4-二甲氨基吡啶 、 重铬酸吡啶 、 四(三苯基膦)钯 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 copper(I) bromide 作用下， 以 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[3-(3,5-dichlorophenyl)-1-(2-naphthyl)-1H-pyrazol-5-yl]-N-[4-(dimethylamino)butyl]butanamide
  参考文献：
  名称：

  Diaryl substituted pyrazoles as potent CCR2 receptor antagonists

  摘要：

  We have identified and synthesized a series of diaryl substituted pyrazoles as potent antagonists of the chemokine receptor subtype 2. Structure-activity relationship studies directed toward improving the potency led to the discovery of 23 (IC50 = 6 nM). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.060

文献信息

• Substituted Pyrazoles as Modulators of Chemokine Receptors
  申请人：Pinkerton Anthony B.

  公开号：US20080167322A1

  公开（公告）日：2008-07-10

  Substituted pyrazole compounds such compounds represented by formula I: which are used to modulate the CCR-2 chemokine receptor to prevent or treat inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis; and pharmaceutical compositions comprising these compounds and the use of these compounds and compositions.

  替代吡唑化合物，这些化合物由式I表示：用于调节CCR-2趋化因子受体，以预防或治疗炎症和免疫调节性疾病和疾病，包括过敏性疾病，包括过敏性鼻炎，皮炎，结膜炎和哮喘，以及自身免疫病理如类风湿性关节炎和动脉硬化;以及包含这些化合物的制药组合物和使用这些化合物和组合物。
• SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Merck & Co., Inc.

  公开号：EP1853260A1

  公开（公告）日：2007-11-14
• [EN] SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS<br/>[FR] PYRAZOLES SUBSTITUES COMME MODULATEURS DES RECEPTEURS DES CHIMIOKINES
  申请人：MERCK & CO INC

  公开号：WO2006088813A1

  公开（公告）日：2006-08-24

  [EN] Substituted pyrazole compounds such compounds represented by formula I: which are used to modulate the CCR-2 chemokine receptor to prevent or treat inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis; and pharmaceutical compositions comprising these compounds and the use of these compounds and compositions.
  [FR] L'invention concerne des composés de pyrazole substitués représentés par la formule I, qui sont utilisés pour moduler le récepteur des chimiokines CCR-2 afin de prévenir ou de traiter des troubles et des maladies inflammatoires et liées à l'immunomodulation, des maladies allergiques, des états atopiques comprenant la rhinite allergique, la dermatite, la conjonctivite et l'asthme, ainsi que des pathologies auto-immunes telles que la polyarthrite rhumatoïde et l'athérosclérose. L'invention concerne aussi des compositions pharmaceutiques comprenant ces composés ainsi que l'utilisation de ces composés et compositions.
• Diaryl substituted pyrazoles as potent CCR2 receptor antagonists
  作者：Anthony B. Pinkerton、Dehua Huang、Rowena V. Cube、John H. Hutchinson、Mary Struthers、Julia M. Ayala、Pasquale P. Vicario、Sima R. Patel、Thomas Wisniewski、Julie A. DeMartino、Jean-Michel Vernier

  DOI：10.1016/j.bmcl.2006.10.060

  日期：2007.2

  We have identified and synthesized a series of diaryl substituted pyrazoles as potent antagonists of the chemokine receptor subtype 2. Structure-activity relationship studies directed toward improving the potency led to the discovery of 23 (IC50 = 6 nM). (c) 2006 Elsevier Ltd. All rights reserved.