N-(benzothiazol-2-yl)-4-(tert-butyl)benzamide | 200726-43-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-(benzothiazol-2-yl)-4-(tert-butyl)benzamide
• 英文别名: MB1_B_142383A-4；MMV142383；N-(benzo[d]thiazol-2-yl)-4-tert-butylbenzamide；N-(1,3-benzothiazol-2-yl)-4-tert-butylbenzamide
• CAS: 200726-43-8
• 化学式: C₁₈H₁₈N₂OS
• mdl: MFCD00616448
• 分子量: 310.42
• InChiKey: PQEMVWNERIBJJT-UHFFFAOYSA-N

物化性质

• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对叔丁基苯甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 N-(benzothiazol-2-yl)-4-(tert-butyl)benzamide
  参考文献：
  名称：

  Synthesis and Antifungal Activity of Cuminic Acid Derivatives

  摘要：

  一系列苯甲酰胺衍生物（化合物1-29）是基于前导化合物枯酸合成得到的。化合物11的晶体结构通过单晶X射线衍射进行了表征。合成的化合物对七种植物病原真菌，即立枯丝核菌、玉蜀黍赤霉、玉蜀黍蠕孢、核盘菌、灰葡萄孢、双孢脐腐菌和葫芦脐腐菌，进行了抗真菌活性测定。初步结果表明，大多数化合物显示出显著的抗真菌活性。其中，化合物22表现出最强的活性，并且对H. maydis、S. sclerotiorum和B. cinerea的抗真菌活性优于多菌灵。

  DOI：

  10.1007/s10600-017-2212-z

文献信息

• Synthesis of benzamide-benzothiazole conjugates via palladium-catalysed aminocarbonylation (hydrazinocarbonylation)
  作者：Máté Gergely、László Kollár

  DOI：10.1016/j.tet.2019.02.026

  日期：2019.3

  The palladium-catalysed aminocarbonylation of iodoarenes was investigated using 2-amino- and 2-hydrazinobenzothiazole as N-nucleophile. The reaction proved to be highly chemoselective in all cases: carboxamides and the corresponding carbohydrazides, obtained by the acylation at the nitrogen adjacent to the C-2 of the benzothiazole moiety, were obtained exclusively and isolated in moderate to high yields

  使用2-氨基和2-肼基苯并噻唑作为N-亲核试剂，研究了钯催化的碘代芳烃的氨基羰基化。该反应在所有情况下均具有高度的化学选择性：仅获得苯甲酰胺和相应的碳酰肼，它们是通过在与苯并噻唑部分的C-2相邻的氮原子处进行酰化而获得的，并以中等至高收率分离。对反应条件的系统研究表明，该反应需要相对较高的温度（高于70°C）。两种产品的合成中一氧化碳压力的影响是不同的：尽管有利于羧酰胺的形成，但随着CO压力的增加，碳酰肼的形成降低。
• [EN] BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS<br/>[FR] COMPOSITIONS DE BENZOTHIAZOLE ET DE THIAZOLE'5,5-B!PYRIDINE ET LEUR UTILISATION COMME INHIBITEURS DE L'UBIQUITINE LIGASE
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2005037845A1

  公开（公告）日：2005-04-28

  This invention describes compounds and pharmaceutical compositions useful as ubiquitin agent inhibitors. The compounds and pharmaceutical compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. The invention also comprises the use of the compounds and pharmaceutical compositions of the invention for the treatment of conditions that require inhibition of ubiquitination. Furthermore, the invention comprises methods of inhibiting ubiquitination in a cell comprising contacting a cell in which inhibition of ubiquitination is desired with a pharmaceutical composition according to the invention.

  这项发明描述了化合物和制药组合物，作为泛素代理抑制剂。该发明的化合物和制药组合物作为抑制泛素化参与的生物化学途径的抑制剂是有用的。该发明还包括使用该发明的化合物和制药组合物治疗需要抑制泛素化的情况。此外，该发明还包括通过使用该发明的制药组合物接触需要抑制泛素化的细胞来抑制细胞内泛素化的方法。
• Benzothiazole compositions and their use as ubiquitin ligase inhibitors
  申请人：Ramesh V. Usha

  公开号：US20050130974A1

  公开（公告）日：2005-06-16

  This invention describes compounds and pharmaceutical compositions useful as ubiquitin agent inhibitors. The compounds and pharmaceutical compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. The invention also comprises the use of the compounds and pharmaceutical compositions of the invention for the treatment of conditions that require inhibition of ubiquitination. Furthermore, the invention comprises methods of inhibiting ubiquitination in a cell comprising contacting a cell in which inhibition of ubiquitination is desired with a pharmaceutical composition according to the invention.

  本发明描述了化合物和药物组合物，可用作泛素代理抑制剂。本发明的化合物和药物组合物可用作生物体中涉及泛素化的生化途径的抑制剂。本发明还包括使用本发明的化合物和药物组合物治疗需要抑制泛素化的疾病的方法。此外，本发明还包括通过将本发明的药物组合物接触到需要抑制泛素化的细胞中来抑制细胞泛素化的方法。
• Benzothniazole compositions and their use as ubiquition ligation inhibitors
  申请人：Ramesh V. Usha

  公开号：US20080039629A1

  公开（公告）日：2008-02-14

  This invention describes compounds and pharmaceutical compositions useful as ubiquitin agent inhibitors. The compounds and pharmaceutical compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. The invention also comprises the use of the compounds and pharmaceutical compositions of the invention for the treatment of conditions that require inhibition of ubiquitination. Furthermore, the invention comprises methods of inhibiting ubiquitination in a cell comprising contacting a cell in which inhibition of ubiquitination is desired with a pharmaceutical composition according to the invention.

  本发明描述了化合物和药物组合物，作为泛素剂抑制剂。本发明的化合物和药物组合物可用作生物体中泛素化参与的生化途径的抑制剂。本发明还包括使用本发明的化合物和药物组合物治疗需要抑制泛素化的疾病的方法。此外，本发明还包括抑制细胞中泛素化的方法，其中包括将需要抑制泛素化的细胞与本发明的药物组合物接触。
• BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：EP1680431A1

  公开（公告）日：2006-07-19