N-methyl-1-{3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrol-2-yl}methanamine | 952191-80-9

• 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-{3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrol-2-yl}methanamine
• 英文别名: N-methyl-1-[3-methyl-5-(4-methylphenyl)sulfonyl-4-phenyl-1H-pyrrol-2-yl]methanamine
• CAS: 952191-80-9
• 化学式: C₂₀H₂₂N₂O₂S
• 分子量: 354.473
• InChiKey: LXIBPPODVNLDPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  70.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methyl-1-{3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrol-2-yl}methanamine 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 0.25h， 生成 N-methyl-1-{3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrol-2-yl}methanamine hydrochloride
  参考文献：
  名称：

  ACID SECRETION INHIBITOR

  摘要：

  公开号：

  EP2005957B1
• 作为产物：
  描述：

  3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrole-2-carbaldehyde 、 甲胺 在 甲醇 、 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 1.0h， 生成 N-methyl-1-{3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrol-2-yl}methanamine
  参考文献：
  名称：

  ACID SECRETION INHIBITOR

  摘要：

  公开号：

  EP2005957B1

文献信息

• Acid Secretion Inhibitor
  申请人：Hasuoka Atsushi

  公开号：US20090118335A1

  公开（公告）日：2009-05-07

  The present invention provides a compound having a superior acid secretion inhibitory action, an antiulcer activity and the like. A proton pump inhibitor containing a compound represented by the formula (I) wherein ring A is a saturated or unsaturated 5- or 6-membered ring group optionally having, as a ring-constituting atom besides carbon atom, 1 to 4 hetero atoms selected from a nitrogen atom, an oxygen atom and a sulfur atom, ring-constituting atoms X 1 and X 2 are each a carbon atom or a nitrogen atom, a ring-constituting atom X 3 is a carbon atom, a nitrogen atom, an oxygen atom or a sulfur atom, R 1 is an optionally substituted aryl group or an optionally substituted heteroaryl group, R 2 is an optionally substituted alkyl group, an optionally substituted aryl group or an optionally substituted heteroaryl group, R 3 is an aminomethyl group optionally substituted by 1 or 2 lower alkyl groups, which is a substituent on a ring-constituting atom other than X 1 , X 2 and X 3 , and ring A optionally further has substituent(s) selected from a lower alkyl group, a halogen atom, a cyano group and an oxo group, or a salt thereof or a prodrug thereof.

  本发明提供了一种具有优异的抑制酸分泌、抗溃疡活性等的化合物。该质子泵抑制剂包含由式(I)表示的化合物，其中环A是饱和或不饱和的5-或6-成员环基团，可选地具有作为环构成原子的碳原子以外的1至4个异原子，所述异原子选自氮原子、氧原子和硫原子，环构成原子X1和X2分别为碳原子或氮原子，环构成原子X3为碳原子、氮原子、氧原子或硫原子，R1为可选取代的芳基基团或可选取代的杂环基团，R2为可选取代的烷基基团、可选取代的芳基基团或可选取代的杂环基团，R3为氨甲基基团，可选地被1或2个低碳基取代，该基团是除X1、X2和X3以外的环构成原子上的取代基，环A可选地进一步具有从低碳基、卤素原子、氰基和氧代基中选择的取代基，或其盐或前药。
• ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS
  申请人：Hasuoka Atsushi

  公开号：US20110288040A1

  公开（公告）日：2011-11-24

  The present invention provides a compound having a superior acid secretion inhibitory action, an antiulcer activity and the like. A proton pump inhibitor containing a compound represented by the formula (I) wherein ring A is a saturated or unsaturated 5- or 6-membered ring group optionally having, as a ring-constituting atom besides carbon atom, 1 to 4 hetero atoms selected from a nitrogen atom, an oxygen atom and a sulfur atom, ring-constituting atoms X 1 and X 2 are each a carbon atom or a nitrogen atom, a ring-constituting atom X 3 is a carbon atom, a nitrogen atom, an oxygen atom or a sulfur atom, R 1 is an optionally substituted aryl group or an optionally substituted heteroaryl group, R 2 is an optionally substituted alkyl group, an optionally substituted aryl group or an optionally substituted heteroaryl group, R 3 is an aminomethyl group optionally substituted by 1 or 2 lower alkyl groups, which is a substituent on a ring-constituting atom other than X 1 , X 2 and X 3 , and ring A optionally further has substituent(s) selected from a lower alkyl group, a halogen atom, a cyano group and an oxo group, or a salt thereof or a prodrug thereof.

  本发明提供了一种具有优异的抑制酸分泌作用、抗溃疡活性等的化合物。一种质子泵抑制剂，包含一种由式(I)表示的化合物，其中环A是一个饱和或不饱和的5或6元环基团，可选地具有除碳原子外的1到4个异原子，所述异原子选自氮原子、氧原子和硫原子，环构成原子X1和X2分别是碳原子或氮原子，环构成原子X3是碳原子、氮原子、氧原子或硫原子，R1是可选取代的芳基基团或可选取代的杂环芳基基团，R2是可选取代的烷基基团、可选取代的芳基基团或可选取代的杂环芳基基团，R3是在除X1、X2和X3之外的环构成原子上取代的氨甲基基团，可选地被1或2个较低烷基取代，环A可选地进一步具有来自较低烷基、卤素原子、氰基和氧基的取代基，或其盐或前药。
• US7994205B2
  申请人：——

  公开号：US7994205B2

  公开（公告）日：2011-08-09
• ACID SECRETION INHIBITOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2005957B1

  公开（公告）日：2012-05-30