2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetic acid | 861514-14-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetic acid
• CAS: 861514-14-9
• 化学式: C₂₁H₂₈N₂O₆S
• 分子量: 436.529
• InChiKey: WRNFHLBAVVIGMR-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  144
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(3-aminopropyl)-2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol 、 2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetic acid 在 吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 N-[3-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propyl]-2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
  参考文献：
  名称：

  Inhalation by design: Dual pharmacology β-2 agonists/M3 antagonists for the treatment of COPD

  摘要：

  This paper describes the successful design and development of dual pharmacology beta-2 agonists-M3 antagonists, for the treatment of chronic obstructive pulmonary disorder using the principles of 'inhalation by design'. A key feature of this work is the combination of balanced potency and pharmacodynamic duration with desirable pharmacokinetic and material properties, whilst keeping synthetic complexity to a minimum. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.132

文献信息

• Sulfonamide Derivatives For The Treatment of Diseases
  申请人：Brown Alan Daniel

  公开号：US20080267970A1

  公开（公告）日：2008-10-30

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及式（1）化合物，以及制备中间体、含有该衍生物的组合物的过程和用途。根据本发明的化合物在许多疾病、疾患和病况中有用，特别是在炎症、过敏和呼吸系统疾病、疾患和病况中有用。
• Sulfonamide Derivatives For The Treatment Of Diseases
  申请人：Brown Alan Daniel

  公开号：US20100273758A1

  公开（公告）日：2010-10-28

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及公式（1）的化合物以及制备这些化合物的中间体、含有这些化合物的组合物和这些衍生物的用途。根据本发明的化合物在许多疾病、紊乱和条件中具有用途，特别是在炎症性、过敏性和呼吸系统疾病、紊乱和条件中。
• Sulfonamide Derivatives for the Treatment of Diseases
  申请人：Brown Alan Daniel

  公开号：US20090197912A1

  公开（公告）日：2009-08-06

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及公式（1）的化合物，以及用于制备这些衍生物的中间体的制备过程、含有这些化合物的组合物以及这些衍生物的用途。根据本发明的化合物在许多疾病、障碍和病况中有用，特别是在炎症、过敏和呼吸系统疾病、障碍和病况中有用。
• US7244766B2
  申请人：——

  公开号：US7244766B2

  公开（公告）日：2007-07-17
• US7351742B2
  申请人：——

  公开号：US7351742B2

  公开（公告）日：2008-04-01