1-(thiazol-2-yl)-1H-benzo[d]imidazol-2(3H)-one | 1042308-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(thiazol-2-yl)-1H-benzo[d]imidazol-2(3H)-one
• 英文别名: 3-(1,3-thiazol-2-yl)-1H-benzimidazol-2-one
• CAS: 1042308-87-1
• 化学式: C₁₀H₇N₃OS
• 分子量: 217.251
• InChiKey: GKYDBSBFIGFOSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-Iodophenyl)-3-(1,3-thiazol-2-yl)urea 在 copper(l) iodide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二甲基亚砜 为溶剂， 反应 0.33h， 以72%的产率得到1-(thiazol-2-yl)-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  Copper-Catalyzed Intramolecular Cyclization to N-Substituted 1,3-Dihydrobenzimidazol-2-ones

  摘要：

  An efficient and convenient method was developed for preparing N-substituted 1,3-dihydrobenzimidazol-2-ones from N'-substituted N-(2-halophenyl)ureas via a Cul/DBU-catalyzed cyclization in DMSO under microwave heating. High yields were obtained and a variety of functional groups were tolerated under these conditions, including N'-aryl, alkyl, heterocyclic, various N-(substituted 2-halophenyl) and N-(2-iodopyridyl)ureas.

  DOI：

  10.1021/ol8011106

文献信息

• Tricyclic steroid hormone nuclear receptor modulators
  申请人：Coghlan Joseph Michael

  公开号：US20060063759A1

  公开（公告）日：2006-03-23

  The present invention relates to methods of treating pathological disorders susceptible to steroid hormone nuclear receptor modulation comprising administering to a patient in need thereof an effective amount of a compound of the formula (I): or a pharmaceutically acceptable salt thereof. In addition, the present invention provides novel pharmaceutical compounds of Formula (I), including the pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions which comprise as an active ingredient a compound of Formula (I).

  本发明涉及治疗对类固醇激素核受体调节敏感的病理性疾病的方法，包括向需要治疗的患者施用化合物（I）的有效量或其药学上可接受的盐。此外，本发明提供了公式（I）的新型药物化合物，包括其药学上可接受的盐，以及含有公式（I）化合物作为活性成分的药物组合物。
• Bicyclic Anilide Spirolactam Cgrp Receptor Antagonists
  申请人：Bell M. Ian

  公开号：US20080096878A1

  公开（公告）日：2008-04-24

  The present invention is directed to compounds of Formula (I): (where variables A 1 , A 2 , B, J, K, m, n, R 4 , R 5a , R 5b and R 5c are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及公式（I）的化合物：（其中变量A1、A2、B、J、K、m、n、R4、R5a、R5b和R5c的定义如本文所述），该化合物可用作CGRP受体拮抗剂，并可用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗CGRP参与的这些疾病中使用这些化合物和组合物的用途。
• BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS
  申请人：Bell Ian M.

  公开号：US20100093759A1

  公开（公告）日：2010-04-15

  Compounds of formula I: I (wherein variables A1, A2, B, m, n, J, R4, G1, G2, G3 and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  公式I的化合物：I（其中变量A1、A2、B、m、n、J、R4、G1、G2、G3和Y如本文所述），它们是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗CGRP参与的这些疾病中使用这些化合物和组合物。
• TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS
  申请人：Coghlan Michael Joseph

  公开号：US20090149445A1

  公开（公告）日：2009-06-11

  The present invention relates to methods of treating pathological disorders susceptible to steroid hormone nuclear receptor modulation comprising administering to a patient in need thereof an effective amount of a compound of the formula: or a pharmaceutically acceptable salt thereof. In addition, the present invention provides novel pharmaceutical compounds of Formula I, including the pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions which comprise as an active ingredient a compound of Formula I.

  本发明涉及治疗容易受到类固醇激素核受体调节的病理性疾病的方法，包括向需要治疗的患者施用化合物的有效量，该化合物的公式为：或其药学上可接受的盐。此外，本发明提供了公式I的新型药物化合物，包括其药学上可接受的盐，以及含有公式I化合物作为活性成分的药物组合物。
• BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS
  申请人：Merck & Co. Inc.

  公开号：EP1608627B1

  公开（公告）日：2008-05-07