2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-5-(2-methylsulfanyl-pyridin-3-ylmethyl)-4-trifluoromethyl-1H-benzoimidazole

• 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: 2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-5-(2-methylsulfanyl-pyridin-3-ylmethyl)-4-trifluoromethyl-1H-benzoimidazole
• 英文别名: 7-methoxy-1-(2-methoxyethyl)-5-[(2-methylsulfanylpyridin-3-yl)methyl]-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazole
• 化学式: C₂₈H₃₀F₃N₃O₂S
• 分子量: 529.626
• InChiKey: XJIQNOQRLZSHST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-5-(2-methylsulfanyl-pyridin-3-ylmethyl)-4-trifluoromethyl-1H-benzoimidazole 在 双氧水 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 6.0h， 生成 2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-5-(2-methylsulfonyl-pyridin-3-ylmethyl)-4-trifluoromethyl-1H-benzoimidazole
  参考文献：
  名称：

  WO2007/112913

  摘要：

  公开号：
• 作为产物：
  描述：

  4-iodo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-5-(2-methylsulfanyl-pyridin-3-ylmethyl)-1H-benzoimidazole 、 氟磺酰基二氟乙酸甲酯 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-5-(2-methylsulfanyl-pyridin-3-ylmethyl)-4-trifluoromethyl-1H-benzoimidazole
  参考文献：
  名称：

  Penta-substituted benzimidazoles as potent antagonists of the calcium-sensing receptor (CaSR-antagonists)

  摘要：

  A series of novel benzimidazole derivatives has been designed via a scaffold morphing approach based on known calcilytics chemotypes. Subsequent lead optimisation led to the discovery of penta-substituted benzimidazoles that exhibit attractive in vitro and in vivo calcium-sensing receptor (CaSR) inhibitory profiles. In addition, synthesis and structure-activity relationship data are provided. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.016

文献信息

• Benzimidazole Derivatives
  申请人：Gerspacher Marc

  公开号：US20100227889A1

  公开（公告）日：2010-09-09

  A compound of formula (I) or a pharmaceutically acceptable salt or prodrug ester thereof: wherein R, X and Y are as disclosed in the specification, suitable for the treatment of osteoporosis.

  化合物公式(I)或其药物可接受的盐或前药酯，其中R，X和Y如规范所述，适用于治疗骨质疏松症。
• Pharmaceutical compositions comprising a calcilytic agent
  申请人：Novartis AG

  公开号：EP1964548A1

  公开（公告）日：2008-09-03

  Provided is a pharmaceutical composition comprising a calcilytic agent which, when administered orally to a subject induces a rapid and short-lasting absorption of the calcilytic agent and/or a rapid and short-lasting release of the parathyroid hormone.

  本发明提供了一种药物组合物，其中包含一种降钙剂，当口服给受试者服用时，该药物组合物能诱导降钙剂的快速、短暂吸收和/或甲状旁腺激素的快速、短暂释放。
• BENZIMIDAZOLE DERIVATIVES
  申请人：NOVARTIS AG

  公开号：EP2004629A2

  公开（公告）日：2008-12-24
• PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT
  申请人：Novartis AG

  公开号：EP2124893A1

  公开（公告）日：2009-12-02
• PHARMACEUTICAL COMPOSITIONS
  申请人：Buhl Thomas

  公开号：US20100022565A1

  公开（公告）日：2010-01-28

  Provided is a pharmaceutical composition comprising a calcilytic agent which, when administered orally to a subject induces a rapid and short-lasting absorption of the calcilytic agent and/or a rapid and short-lasting release of the parathyroid hormone.