7-(2-amino-1R-hydroxy-ethyl)-4-hydroxy-3H-benzothiazol-2-one acetate | 950504-39-9

• 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: 7-(2-amino-1R-hydroxy-ethyl)-4-hydroxy-3H-benzothiazol-2-one acetate
• 英文别名: 7-[(1R)-2-amino-1-hydroxyethyl]-4-hydroxy-1,3-benzothiazol-2(3H)-one acetate；7-[(1R)-2-Amino-1-hydroxy-ethyl]-4-hydroxy-3H-benzothiazol-2-one, acetate salt；acetic acid;7-[(1R)-2-amino-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
• CAS: 950504-39-9
• 化学式: C₂H₄O₂*C₉H₁₀N₂O₃S
• 分子量: 286.309
• InChiKey: BVHFKFPUQGRCBE-RGMNGODLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.38
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  158
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  、 7-(2-amino-1R-hydroxy-ethyl)-4-hydroxy-3H-benzothiazol-2-one acetate 在 盐酸 、 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 生成 7-[(1R)-2-[2-[3-[[(2-chlorophenyl)methylamino]methyl]phenyl]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
  参考文献：
  名称：

  From libraries to candidate: The discovery of new ultra long-acting dibasic β2-adrenoceptor agonists

  摘要：

  Libraries of dibasic compounds designed around the molecular scaffold of the DA(2)/beta(2) dual agonist sibenadet (Viozan (TM)) have yielded a number of promising starting points that have been further optimised into novel potent and selective target molecules with required pharmacokinetic properties. From a short-list, 31 was discovered as a novel, high potency, and highly efficacious beta(2)-agonist with high selectivity and a duration of action commensurable with once daily dosing. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.049
• 作为产物：
  描述：

  溶剂黄146 、 7-[(1R)-2-azido-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one 在 5%-palladium/activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 7-(2-amino-1R-hydroxy-ethyl)-4-hydroxy-3H-benzothiazol-2-one acetate
  参考文献：
  名称：

  [EN] COMPOUNDS
  [FR] COMPOSÉS

  摘要：

  公开号：

  WO2009098448A8

文献信息

• Salts of a Selective Beta-2 Andrenoceptor Agonist
  申请人：Whittock Robert

  公开号：US20100016388A1

  公开（公告）日：2010-01-21

  A pharmaceutically acceptable salt of 7-[(1R)-2-(2-[3-[2-(2-Chlorophenyl)ethyl]amino}propyl)thio]ethyl}amino)-1-hydroxyethyl]-4-hydroxy-1,3-benzothia-zol-2(3H)-one provided it is not the ditrifluoroacetate, dihydrobromide or di-acetate salt; and the use of such a compound as a medicament (for example in the treatment of respiratory diseases (such as asthma or COPD).

  一种药用可接受的盐，为7-[(1R)-2-(2-[3-[2-(2-氯苯基)乙基]氨基}丙基）硫基]乙基}氨基)-1-羟基乙基]-4-羟基-1,3-苯并噻唑-2（3H）-酮，只要它不是二三氟乙酸盐，二溴化物盐或二乙酸盐；以及将这种化合物用作药物（例如治疗呼吸系统疾病（如哮喘或COPD）的药物）。
• Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists
  申请人：Alcaraz Lilian

  公开号：US20090062259A1

  公开（公告）日：2009-03-05

  The present invention relates to compounds according to formula (I), a process for preparing them, the intermediate compounds of the process and the use of the compounds in the manufacture of a medicament for use in treating diseases such as ARDS, pulmonary emphysema, bronchitis, bronchiectasis, COPD, asthma and rhinitis. The compounds are beta adrenoreceptor agonists.

  本发明涉及式(I)的化合物，其制备方法，该方法的中间体化合物以及化合物在制造治疗ARDS、肺气肿、支气管炎、支气管扩张、COPD、哮喘和鼻炎等疾病的药物中的应用。这些化合物是β-肾上腺素受体激动剂。
• 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。
• 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。
• WO2008/104776
  申请人：——

  公开号：——

  公开（公告）日：——