N-(4-叔丁基苯基)-4-(3-甲基吡啶-2-基)苯甲酰胺 | 717116-07-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-叔丁基苯基)-4-(3-甲基吡啶-2-基)苯甲酰胺
• 英文名称: N-(4-tert-butylphenyl)-4-(3-methylpyridine-2-yl)benzamide
• 英文别名: N-(4-tert-butyl-phenyl)-4-(3-methyl-pyridin-2-yl)-benzamide；N-(4-tert-butylphenyl)-4-(3-methylpyridin-2-yl)benzamide
• CAS: 717116-07-9
• 化学式: C₂₃H₂₄N₂O
• 分子量: 344.456
• InChiKey: HNENYCYVYIYIHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-羧基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 N-(4-叔丁基苯基)-4-(3-甲基吡啶-2-基)苯甲酰胺
  参考文献：
  名称：

  从芳基脲到联芳基酰胺再到氨基喹唑啉：发现新型有效的TRPV1拮抗剂。

  摘要：

  铅VR1拮抗剂1中芳基环的哌嗪生物等位取代导致了联芳基酰胺系列的产生。B环SAR的发展导致构象受限的类似物70。所得氨基喹唑啉70代表一种新型VR1拮抗剂，与先导系列的类似化合物相比，具有更高的体外效价和口服生物利用度。

  DOI：

  10.1016/j.bmcl.2006.07.010

文献信息

• [EN] PHENYL - CARBOXAMIDE COMPOUNDS USEFUL FOR TREATING PAIN<br/>[FR] COMPOSES PHENYL-CARBOXAMIDE UTILES POUR TRAITER LA DOULEUR
  申请人：EURO CELTIQUE SA

  公开号：WO2005030766A1

  公开（公告）日：2005-04-07

  The present invention discloses compounds of formula: (I) (II) where Ar1, Ar2, X, R1, R2, R3, m, and n are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Phenylene Compound”); compositions comprising an effective amount of a Phenylene Compound; and methods for treating or preventing pain and other conditions in an animal comprising administering to an animal in need thereof an effective amount of a Phenylene Compound.

  本发明披露了化合物公式：（I）（II）其中Ar1，Ar2，X，R1，R2，R3，m和n如本文所述或其药学上可接受的盐（“苯基化合物”）; 包含苯基化合物的有效量的组合物; 以及治疗或预防动物疼痛和其他疾病的方法，包括向需要的动物施用苯基化合物的有效量。
• Substituted biphenyl-4-carboxylic acid arylamide analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20060100245A1

  公开（公告）日：2006-05-11

  Substituted biphenyl-4-carboxylic acid arylamide analogues capable of modulating receptor activity, are provided. Such ligands may be used to modulate receptor activity in vivo or in vitro, and are particularly useful in the treatment of pain and other conditions associated with receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了能够调节受体活性的取代联苯-4-羧酸芳香酰胺类似物。这样的配体可以用于体内或体外调节受体活性，并且在治疗与人类、家畜伴侣动物和家畜动物中的受体激活有关的疼痛和其他疾病方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的配体使用方法。
• BIARYLCARBOXYARYLAMIDES AS VANILLOID-1 RECEPTOR MODULATORS
  申请人：BARALDI Pier Giovanni

  公开号：US20100081687A1

  公开（公告）日：2010-04-01

  The present invention provides compounds of formula (I): wherein A and Z are as defined in the description, along with methods for preparing such derivatives and their use for the treatment of inflammatory diseases such as neuropathic pain.

  本发明提供公式（I）的化合物：其中A和Z如描述中所定义，以及制备这种衍生物的方法及其用于治疗炎症性疾病，如神经病性疼痛。
• Phenyl-carboxamide compounds useful for treating pain
  申请人：EURO-CELTIQUE S.A.

  公开号：EP2017276A1

  公开（公告）日：2009-01-21

  The present invention discloses compounds of formula: (I) (II) where Ar1, Ar2, X, R1, R2, R3, m, and n are disclosed herein or a pharmaceutically acceptable salt thereof (a "Phenylene Compound"); compositions comprising an effective amount of a Phenylene Compound; and methods for treating or preventing pain and other conditions in an animal comprising administering to an animal in need thereof an effective amount of a Phenylene Compound.

  本发明公开了式：(I)(II)，其中 Ar1、Ar2、X、R1、R2、R3、m 和 n 在本文中公开，或其药学上可接受的盐（"亚苯基化合物"）；包含有效量亚苯基化合物的组合物；以及治疗或预防动物疼痛和其他病症的方法，包括向有需要的动物施用有效量亚苯基化合物。
• Biarylcarboxybenzamide derivatives as potent vanilloid receptor (VR1) antagonistic ligands
  作者：Hyeung-geun Park、Ji-yeon Choi、Mi-hyun Kim、Sea-hoon Choi、Mi-kyung Park、Jihye Lee、Young-Ger Suh、Hawon Cho、Uhtaek Oh、Hee-Doo Kim、Yung Hyup Joo、Song Seok Shin、Jin Kwan Kim、Yeon Su Jeong、Hyun-Ju Koh、Young-Ho Park、Sang-sup Jew

  DOI：10.1016/j.bmcl.2004.11.033

  日期：2005.2

  Seventeen biarylcarboxybenzamide derivatives were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor (VR1) in rat DRG neurons. The replacement of the piperazine moiety of the lead compound I with phenyl ring showed quite enhanced antagonistic activity. Among the prepared derivatives, N-(4-tert-butylphenyl)-4-pyridine-2-yl-benzamide (2, IC50 = 31 nM) and N-(4-tet-t-butylphenyl)-4-(3-methylpyridine-2-yl)benzamide (3g, IC50 = 31 nM), showed 5-fold higher antagonistic activity than 1 in Ca-45 (2+)-influx assay. (C) 2004 Elsevier Ltd. All rights reserved.