N-methyl-1-[1-(2-methylaminopyrimidin-5-ylsulfonyl)-5-phenyl-1H-pyrrol-3-yl]methanamine hydrochloride | 881680-93-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-methyl-1-[1-(2-methylaminopyrimidin-5-ylsulfonyl)-5-phenyl-1H-pyrrol-3-yl]methanamine hydrochloride
• 英文别名: N-methyl-5-[4-(methylaminomethyl)-2-phenylpyrrol-1-yl]sulfonylpyrimidin-2-amine;hydrochloride
• CAS: 881680-93-9
• 化学式: C₁₇H₁₉N₅O₂S*ClH
• 分子量: 393.897
• InChiKey: KQNILRYFJORDBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  97.3
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(2-chloropyrimidin-5-ylsulfonyl)-5-phenyl-1H-pyrrole-3-carbaldehyde 生成 N-methyl-1-[1-(2-methylaminopyrimidin-5-ylsulfonyl)-5-phenyl-1H-pyrrol-3-yl]methanamine 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。
• 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS
  申请人：Kajino Masahiro

  公开号：US20110301174A1

  公开（公告）日：2011-12-08

  The present invention provides a compound having a superior acid secretion inhibitory effect and showing an antiulcer activity and the like. The present invention provides a compound represented by the formula (I) wherein R 1 is a nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle, the nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle optionally has substituent(s), R 2 is an optionally substituted C 6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R 3 and R 4 are each a hydrogen atom, or one of R 3 and R 4 is a hydrogen atom and the other is an optionally substituted lower alkyl pup, an acyl group, a halogen atom, a cyano group or a nitro group, and R 5 is an alkyl group or a salt thereof.

  本发明提供了一种具有优异的抑制酸分泌作用和显示抗溃疡活性等特性的化合物。本发明提供了一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选地与苯环或杂环缩合，该含氮单环杂环基可选地带有取代基；R2是可选地取代的C6-14芳基、可选地取代的噻吩基或可选地取代的吡啶基；R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选地取代的较低烷基、酰基、卤原子、氰基或硝基；R5是烷基或其盐。
• Proton pump inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2336107B1

  公开（公告）日：2015-09-23
• 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1919865B1

  公开（公告）日：2011-04-06
• 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2327692B9

  公开（公告）日：2014-06-04