7-乙酰基-4-羟基-1,3-苯并噻唑-2(3H)-酮 | 662111-33-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 7-乙酰基-4-羟基-1,3-苯并噻唑-2(3H)-酮
• 英文名称: 7-acetyl-4-hydroxy-1,3-benzothiazol-2(3H)-one
• 英文别名: 7-acetyl-4-hydroxy-3H-benzothiazol-2-one；7-Acetyl-4-hydroxybenzo[d]thiazol-2(3H)-one；7-acetyl-4-hydroxy-3H-1,3-benzothiazol-2-one
• CAS: 662111-33-3
• 化学式: C₉H₇NO₃S
• 分子量: 209.225
• InChiKey: ISRVZIVXPKWOSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-乙酰基-4-羟基-1,3-苯并噻唑-2(3H)-酮 在 sodium azide 、 3,5-二叔丁基邻苯醌 、 diborane(6) 作用下， 生成 7-[(1R)-2-azido-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
  参考文献：
  名称：

  Design-driven LO: The discovery of new ultra long acting dibasic β2-adrenoceptor agonists

  摘要：

  Starting with the molecular scaffold of the DA(2)/beta(2) dual agonist sibenadet ( Viozan (TM)), a number of molecular changes were incorporated, which were designed to increase the potency and selectivity of the target molecule, and improve its pharmacokinetics. Through this process a novel, high potency, full beta(2)-agonist with high selectivity and long duration capable of being dosed once daily has been discovered. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.05.097
• 作为产物：
  描述：

  7-acetyl-4-methoxy-1,3-benzothiazol-2(3H)-one 在 吡啶盐酸盐 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 1.5h， 生成 7-乙酰基-4-羟基-1,3-苯并噻唑-2(3H)-酮
  参考文献：
  名称：

  [EN] ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS
  [FR] COMPOSES MEDICAMENTEUX

  摘要：

  公开号：

  WO2004016578A3

文献信息

• Arylethanolamine beta2-adrenoreceptor agonist compounds
  申请人：Biggadike Keith

  公开号：US20060111344A1

  公开（公告）日：2006-05-25

  The present invention relates to compounds of formula (I) as defined herein and salts or solvates thereof. Processes for preparing these compounds and pharmaceutical formulations containing them are also disclosed, as well as methods for the prophylaxis of treatment of a clinical condition using such compounds.

  本发明涉及以下式(I)的化合物及其盐或溶剂合物。本发明还揭示了制备这些化合物和含有它们的制药配方，以及使用这些化合物预防或治疗临床病症的方法。
• Compounds
  申请人：Alcaraz Lilian

  公开号：US20090298807A1

  公开（公告）日：2009-12-03

  The present invention relates to spirocyclic amide derivatives of the formula I, pharmaceutically acceptable salts thereof, a process for their preparation, pharmaceutical compositions containing them, and their use in therapy.

  本发明涉及公式 I 的螺环酰胺衍生物，其药学上可接受的盐，其制备方法，含有它们的制药组合物以及它们在治疗中的应用。
• Arylethanolamine β2-adrenoreceptor agonist compounds
  申请人：Glaxo Group Limited

  公开号：US07402598B2

  公开（公告）日：2008-07-22

  The present invention relates to compounds of formula (I) as defined herein and salts or solvates thereof. Processes for preparing these compounds and pharmaceutical formulations containing them are also disclosed, as well as methods for the prophylaxis of treatment of a clinical condition using such compounds.

  本发明涉及公式（I）所定义的化合物及其盐或溶剂化物。还公开了制备这些化合物的方法和含有它们的药物配方，以及使用这些化合物预防或治疗临床疾病的方法。
• Compouds
  申请人：Alcaraz Lilian

  公开号：US20120322788A1

  公开（公告）日：2012-12-20

  The present invention relates to spirocyclic amide derivatives of the formula I, pharmaceutically acceptable salts thereof, a process for their preparation, pharmaceutical compositions containing them, and their use in therapy.

  本发明涉及公式I的螺环酰胺衍生物，其药学上可接受的盐，其制备方法，含有它们的制药组合物以及它们在治疗中的用途。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：ASTRAZENECA AB

  公开号：WO2009098448A8

  公开（公告）日：2010-08-26