tert-butyl ({1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-3-yl-1H-pyrrol-3-yl}methyl)methylcarbamate | 928324-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tert-butyl ({1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-3-yl-1H-pyrrol-3-yl}methyl)methylcarbamate
• 英文别名: tert-butyl({1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}methyl)methylcarbamate；tert-butyl N-[[1-(5-bromopyridin-3-yl)sulfonyl-5-phenylpyrrol-3-yl]methyl]-N-methylcarbamate
• CAS: 928324-81-6
• 化学式: C₂₂H₂₄BrN₃O₄S
• 分子量: 506.42
• InChiKey: BSPQLYWKHAJJDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  89.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl ({1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-3-yl-1H-pyrrol-3-yl}methyl)methylcarbamate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 4.0h， 以49%的产率得到1-{1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}-N-methylmethanamine hydrochloride
  参考文献：
  名称：

  Acid secretion inhibitor

  摘要：

  本发明提供一种具有优越的抑制酸分泌作用并显示抗溃疡活性等的化合物。本发明提供一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选择地与苯环或杂环缩合，该含氮的单环杂环基可选择地与苯环或杂环缩合，可选择地具有取代基，R2是可选择地取代的C6-14芳基，可选择地取代的噻吩基或可选择地取代的吡啶基，R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择地取代的较低烷基基团、酰基、卤原子、氰基或硝基，R5是烷基或其盐。

  公开号：

  US20070060623A1
• 作为产物：
  描述：

  1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-1H-pyrrole-3-carbaldehyde 、 二碳酸二叔丁酯 在 甲醇 、 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.66h， 以48%的产率得到tert-butyl ({1-[(5-bromopyridin-3-yl)sulfonyl]-5-phenyl-3-yl-1H-pyrrol-3-yl}methyl)methylcarbamate
  参考文献：
  名称：

  Acid secretion inhibitor

  摘要：

  本发明提供一种具有优越的抑制酸分泌作用并显示抗溃疡活性等的化合物。本发明提供一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选择地与苯环或杂环缩合，该含氮的单环杂环基可选择地与苯环或杂环缩合，可选择地具有取代基，R2是可选择地取代的C6-14芳基，可选择地取代的噻吩基或可选择地取代的吡啶基，R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择地取代的较低烷基基团、酰基、卤原子、氰基或硝基，R5是烷基或其盐。

  公开号：

  US20070060623A1

文献信息

• 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。
• 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08299261B2

  公开（公告）日：2012-10-30

  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 R1 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), R2 is an optionally substituted C6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R3 and R4 are each a hydrogen atom, or one of R3 and R4 is a hydrogen atom and the other is an optionally substituted lower alkyl group, an acyl group, a halogen atom, a cyano group or a nitro group, and R5 is an alkyl group or a salt thereof.

  本发明提供了一种具有优异的酸分泌抑制作用和抗溃疡活性等的化合物。本发明提供的化合物由式(I)表示，其中R1是一种含氮的单环杂环基，可以选择与苯环或杂环缩合，所述含氮的单环杂环基可以选择与苯环或杂环有取代基，R2是一种可选取代的C6-14芳基，可选取代的噻吩基或可选取代的吡啶基，R3和R4分别是氢原子，或R3和R4中的一个是氢原子，另一个是可选取代的较低烷基，酰基，卤素原子，氰基或硝基，R5是烷基或其盐。
• 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08338461B2

  公开（公告）日：2012-12-25

  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 R1 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), R2 is an optionally substituted C6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R3 and R4 are each a hydrogen atom, or one of R3 and R4 is a hydrogen atom and the other is an optionally substituted lower alkyl group, an acyl group, a halogen atom, a cyano group or a nitro group, and R5 is an alkyl group or a salt thereof.

  本发明提供了一种具有优异的酸分泌抑制作用和抗溃疡活性等的化合物。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具有取代基，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，另一个是可选的取代较低烷基，酰基，卤素原子，氰基或硝基，R5是烷基或其盐。
• 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors
  申请人：Takeda Pharmaceuticals Company Limited

  公开号：US08338462B2

  公开（公告）日：2012-12-25

  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 R1 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), R2 is an optionally substituted C6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R3 and R4 are each a hydrogen atom, or one of R3 and R4 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 R5 is an alkyl group or a salt thereof.

  本发明提供了一种具有卓越的酸分泌抑制作用和抗溃疡活性等的化合物。本发明提供的化合物由式（I）表示，其中R1是一种含氮单环杂环基，可选择与苯环或杂环缩合，该含氮单环杂环基可选择带有取代基；R2是可选择取代的C6-14芳基、可选择取代的噻吩基或可选择取代的吡啶基；R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择取代的较低烷基、酰基、卤素原子、氰基或硝基；R5是烷基或其盐。
• 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