tert-butyl {[5-(6-chloropyridin-3-yl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate | 928325-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tert-butyl {[5-(6-chloropyridin-3-yl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate
• 英文别名: tert-butyl N-[[5-(6-chloropyridin-3-yl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl]-N-methylcarbamate
• CAS: 928325-13-7
• 化学式: C₂₁H₂₃ClN₄O₄S
• 分子量: 462.957
• InChiKey: HODZGGZVOOPTJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl ((5-bromo-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)methyl)(methyl)carbamate 、 2-氯-5-吡啶硼酸 在 四(三苯基膦)钯 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 3.0h， 以22%的产率得到tert-butyl {[5-(6-chloropyridin-3-yl)-1-(pyridin-3-ylsulfonyl)-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, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR
  申请人：Kajino Masahiro

  公开号：US20090275591A1

  公开（公告）日：2009-11-05

  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 group, an acyl group, a halogen atom, a cyano group or a nitro group, and R 5 is an alkyl group or a salt thereof.

  本发明提供一种具有优异的抑制酸分泌作用并具有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，可选择与苯环或杂环缩合，该含氮的单环杂环基可选择与苯环或杂环具有取代基，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低碳基、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：Kajino Masahiro

  公开号：US20110144161A1

  公开（公告）日：2011-06-16

  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 group, 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。本发明提供了一种由式（I）表示的化合物，其中R1是一种氮含杂环单环芳基，可选地与苯环或杂环缩合，所述氮含杂环单环芳基可选地具有取代基，R2是一种可选地取代的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各自是氢原子，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是一种烷基或其盐。
• 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。
• ACID SECRETION INHIBITOR
  申请人：Kajino Masahiro

  公开号：US20090143444A1

  公开（公告）日：2009-06-04

  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 group, 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，可以与苯环或杂环缩合，该含氮的单环杂环基可以选择性地具有取代基；R2是一种选择性取代的C6-14芳基、选择性取代的噻吩基或选择性取代的吡啶基；R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是选择性取代的较低烷基、酰基、卤素原子、氰基或硝基；R5是一种烷基或其盐。
• 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：EP2327692A1

  公开（公告）日：2011-06-01

  A compound represented by the formula (I): wherein R1 is a monocyclic nitrogen-containing heterocyclic group optionally condensed with a benzene ring or a heterocycle, the monocyclic nitrogen-containing 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, for use for the treatment or prophylaxis of peptic ulcer, Zollinger-Ellison syndrome, gastritis, erosive esophagitis, reflux esophagitis, symptomatic gastroesophageal reflux disease (Symptomatic GERD), functional dyspepsia, gastric cancer, stomach MALT lymphoma, or gastric hyperacidity; or the inhibition of upper gastrointestinal hemorrhage due to peptic ulcer, acute stress ulcer, hemorrhagic gastritis or invasive stress, or for use for the eradication of helicobacter pylori.

  式 (I) 所代表的化合物： 其中 R1 是可选与苯环或杂环缩合的单环含氮杂环基团，可选与苯环或杂环缩合的单环含氮杂环基团可选具有取代基，R2 是可选取代的 C6-14 芳基、可选取代的噻吩基或可选取代的吡啶基，R3 和 R4 各为氢原子、或 R3 和 R4 中的一个是氢原子，另一个是任选取代的低级烷基、酰基、卤素原子、氰基或硝基，以及 R5 是烷基或其盐，用于治疗或预防消化性溃疡、Zollinger-Ellison 综合征、胃炎、侵蚀性食管炎、反流性食管炎、症状性胃食管反流病（症状性胃食管反流病）、功能性消化不良、胃癌、胃 MALT 淋巴瘤或胃酸过多；或抑制消化性溃疡、急性应激性溃疡、出血性胃炎或侵袭性应激引起的上消化道出血，或用于根除幽门螺杆菌。