N-[4-(diethylamino)4-methylbutyl]-4-{1-(2-naphthyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}butanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[4-(diethylamino)4-methylbutyl]-4-{1-(2-naphthyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}butanamide
• 英文别名: N-(5-(diethylamino)pentan-2-yl)-4-(1-(naphthalen-2-yl)-3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-yl)butanamide；N-[5-(diethylamino)pentan-2-yl]-4-[2-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]butanamide
• 化学式: C₃₃H₃₉F₃N₄O
• 分子量: 564.694
• InChiKey: RLXPKABGYGNYMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (3-三氟甲基苯甲酰)乙酸乙酯 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 、 三溴化磷 、 溶剂黄146 、 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 、 乙腈 为溶剂， 生成 N-[4-(diethylamino)4-methylbutyl]-4-{1-(2-naphthyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}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

• AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE
  申请人：McComas Casey Cameron

  公开号：US20080161366A1

  公开（公告）日：2008-07-03

  The present invention is directed to aminoalkyl-substituted aryl sulfamide derivatives of formula I: or a pharmaceutically acceptable salt, stereoisomer or tautomer thereof, which are monoamine reuptake inhibitors, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions, including, inter alia, vasomotor symptoms, sexual dysfunction, gastrointestinal disorders and genitourinary disorder, depression disorders, endogenous behavioral disorders, cognitive disorders, diabetic neuropathy, pain, and other diseases or disorders.

  本发明涉及公式I的氨基烷基取代芳基磺酰胺衍生物，或其药学上可接受的盐、立体异构体或互变异构体，它们是单胺再摄取抑制剂，包含这些衍生物的组合物，以及它们用于预防和治疗症状，包括但不限于血管运动症状、性功能障碍、胃肠障碍和泌尿生殖障碍、抑郁症、内源性行为障碍、认知障碍、糖尿病神经病变、疼痛和其他疾病或障碍的方法。
• 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。