[3-(2-hydroxyethyl)benzyl]-(2-methoxybenzyl)carbamic acid tert-butyl ester | 950503-08-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [3-(2-hydroxyethyl)benzyl]-(2-methoxybenzyl)carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]carbamate
• CAS: 950503-08-9
• 化学式: C₂₂H₂₉NO₄
• 分子量: 371.477
• InChiKey: LGYKYJDXAIQDBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [3-(2-hydroxyethyl)benzyl]-(2-methoxybenzyl)carbamic acid tert-butyl ester 在 盐酸 、 sodium cyanoborohydride 、 戴斯-马丁氧化剂 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-hydroxy-7-[1R-hydroxy-2-(2-{3-[(2-methoxy-benzylamino)-methyl]-phenyl}-ethylamino)-ethyl]-3H-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：

  3-(2-羟基乙基)苯甲醛 在 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 [3-(2-hydroxyethyl)benzyl]-(2-methoxybenzyl)carbamic acid tert-butyl ester
  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

文献信息

• 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。
• Bezothiazol derivatives as Beta2 adrenoreceptor agonists
  申请人：AstraZeneca AB

  公开号：US07951954B2

  公开（公告）日：2011-05-31

  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.

  本发明涉及公式（I）的化合物，其制备方法，该过程的中间体以及化合物在制造用于治疗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。
• WO2007/106016
  申请人：——

  公开号：——

  公开（公告）日：——
• BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS
  申请人：AstraZeneca AB

  公开号：EP1996566A1

  公开（公告）日：2008-12-03
• US7951954B2
  申请人：——

  公开号：US7951954B2

  公开（公告）日：2011-05-31