1-[5-(2-fluorophenyl)-1-({3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine hydrochloride | 881681-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-[5-(2-fluorophenyl)-1-({3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine hydrochloride
• 英文别名: 1-[5-(2-fluorophenyl)-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
• CAS: 881681-30-7
• 化学式: C₁₉H₁₆F₄N₂O₄S₂*ClH
• 分子量: 512.934
• InChiKey: CKPKNIYGUBVPOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-[(trifluoromethyl)sulfonyl]benzenesulfonyl chloride 、 5-(2-氟苯基)-1H-吡咯-3-甲醛 生成 1-[5-(2-fluorophenyl)-1-({3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine hydrochloride
  参考文献：
  名称：

  PROTON PUMP INHIBITORS

  摘要：

  公开号：

  EP1803709B1

文献信息

• Proton Pump Inhibitors
  申请人：Kajino Masahiro

  公开号：US20080139639A1

  公开（公告）日：2008-06-12

  A proton pump inhibitor containing a compound represented by the formula (I) wherein X and Y are the same or different and each is a bond or a spacer having 1 to 20 carbon atoms in the main chain, R 1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, R 2 , R 3 and R 4 are the same or different and each is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted thienyl group, an optionally substituted benzo[b]thienyl group, an optionally substituted furyl group, an optionally substituted pyridyl group, an optionally substituted pyrazolyl group, an optionally substituted pyrimidinyl group, an acyl group, a halogen atom, a cyano group or a nitro group, R 5 and R 6 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, which has a superior proton pump action and shows an antiulcer activity and the like after conversion to a proton pump inhibitor in the body, or a salt thereof. or a prodrug thereof is provided.

  提供一种质子泵抑制剂，其中包含公式（I）所代表的化合物，其中X和Y相同或不同，每个都是具有1到20个碳原子的主链中的键或间隔物，R1是可选取代的碳氢化合物基团或可选取代的杂环基团，R2、R3和R4相同或不同，每个都是氢原子、可选取代的碳氢化合物基团、可选取代的噻吩基团、可选取代的苯并[b]噻吩基团、可选取代的呋喃基团、可选取代的吡啶基团、可选取代的吡唑基团、可选取代的嘧啶基团、酰基、卤素原子、氰基或硝基，R5和R6相同或不同，每个都是氢原子或可选取代的碳氢化合物基团。该化合物在体内转化为质子泵抑制剂后具有卓越的质子泵作用，并显示抗溃疡活性等，或其盐或前药。
• Proton pump inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US10308605B2

  公开（公告）日：2019-06-04

  A proton pump inhibitor containing a compound represented by the formula (I) wherein X and Y are the same or different and each is a bond or a spacer having 1 to 20 carbon atoms in the main chain, R1is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, R2, R3 and R4 are the same or different and each is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted thienyl group, an optionally substituted benzo[b]thienyl group, an optionally substituted furyl group, an optionally substituted pyridyl group, an optionally substituted pyrazolyl group, an optionally substituted pyrimidinyl group, an acyl group, a halogen atom, a cyano group or a nitro group, R5 and R6 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, which has a superior proton pump action and shows an antiulcer activity and the like after conversion to a proton pump inhibitor in the body, or a salt thereof, or a prodrug thereof is provided.

  一种质子泵抑制剂，含有由式 (I) 代表的化合物 其中 X 和 Y 相同或不同，并且各自是键或在主链中具有 1 至 20 个碳原子的间隔物，R1 是任选取代的烃基或任选取代的杂环基，R2、R3 和 R4 相同或不同，并且各自是氢原子、任选取代的烃基、任选取代的噻吩基、任选取代的苯并[b]噻吩基、任选取代的呋喃基、R5和R6相同或不同，各自为氢原子或任选取代的烃基，在体内转化为质子泵抑制剂后，具有优异的质子泵作用并显示出抗溃疡活性等，或其盐或其原药。
• US20140343070A1
  申请人：——

  公开号：US20140343070A1

  公开（公告）日：2014-11-20
• US8048909B2
  申请人：——

  公开号：US8048909B2

  公开（公告）日：2011-11-01
• PROTON PUMP INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1803709B1

  公开（公告）日：2013-01-02