N-methyl-1-[1-phenyl-2-(phenylthio)-1H-imidazol-4-yl]methanamine | 952282-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-methyl-1-[1-phenyl-2-(phenylthio)-1H-imidazol-4-yl]methanamine
• 英文别名: N-methyl-1-(1-phenyl-2-phenylsulfanylimidazol-4-yl)methanamine
• CAS: 952282-83-6
• 化学式: C₁₇H₁₇N₃S
• 分子量: 295.408
• InChiKey: GOOGGULCTDXKGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methyl-1-[1-phenyl-2-(phenylthio)-1H-imidazol-4-yl]methanamine 在 Oxone 、 sodium thiosulfate 、 盐酸 、 碳酸氢钠 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 反应 3.0h， 以8%的产率得到N-methyl-1-[1-phenyl-2-(phenylsulfonyl)-1H-imidazol-4-yl]methanamine dihydrochloride
  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。
• 5-MEMBERED HETEROCYCLIC COMPOUND
  申请人：Nishida Haruyuki

  公开号：US20100210696A1

  公开（公告）日：2010-08-19

  Provided is a compound having a superior acid secretion suppressive action, which shows an antiulcer activity and the like. A compound represented by the formula (I) or a salt thereof: wherein ring A is a saturated or unsaturated 5-membered heterocycle containing, as a ring-constituting atom besides carbon atoms, at least one heteroatom selected from a nitrogen atom, an oxygen atom and a sulfur atom, the ring-constituting atoms X 1 and X 2 are the same or different and each is C or N, the ring-constituting atoms X 3 and X 4 are the same or different and each is C, N, 0 or S (provided that a pyrrole ring wherein X 1 is N is excluded from ring A), and when the ring-constituting atom X 3 or X 4 is C or N, each ring-constituting atom optionally has substituent(s) selected from an optionally substituted alkyl, an acyl, an optionally substituted hydroxy, an optionally substituted mercapto, an optionally substituted amino, a halogen, a cyano and a nitro; R 1 and R 2 are each a cyclic group optionally having substituent(s); R 3 and R 4 are each H or alkyl, or R 3 and R 4 form, together with the adjacent N, an nitrogen-containing heterocycle; and Y is a spacer.

  所提供的化合物具有卓越的抑制酸分泌作用，表现出抗溃疡活性等。化合物由式(I)或其盐表示，其中环A是饱和或不饱和的5元杂环，除碳原子外，至少包含一个从氮原子、氧原子和硫原子中选择的杂原子，环构成原子X1和X2相同或不同，均为C或N，环构成原子X3和X4相同或不同，均为C、N、O或S（前提是不包括X1为N的吡咯环），当环构成原子X3或X4为C或N时，每个环构成原子可选地具有取代基，所述取代基选择自可选取代的烷基、酰基、可选取代的羟基、可选取代的巯基、可选取代的氨基、卤素、氰基和硝基；R1和R2分别为环状基团，可选地具有取代基；R3和R4分别为H或烷基，或R3和R4与相邻的N形成含氮杂环；Y为间隔基。
• ACID PUMP ANTAGONIST FOR TREATMENT OF DISEASES ASSOCIATED WITH ABNORMAL GASTROINTESTINAL MOVEMENT
  申请人：RaQualia Pharma Inc

  公开号：EP2452680A1

  公开（公告）日：2012-05-16

  The present invention relates to a use of a compound having an acid pump antagonistic activity, a pharmaceutically acceptable salt thereof or a pharmaceutical composition thereof for the manufacture of a medicament for prevention or treatment of diseases in which abnormal gastrointestinal motility is involved. In addition, the present invention relates to the method of prevention or treatment including administering to a human or animal. The compound, the pharmaceutically acceptable salt thereof, or pharmaceutical compositions containing them, may be used in combination with one or more second active agent. Further, the present invention relates to pharmaceutical compositions and kits comprising a compound having an acid pump antagonistic activity or a pharmaceutically acceptable salt thereof for the prevention or treatment of said diseases.

  本发明涉及一种具有酸泵拮抗活性的化合物、其药学上可接受的盐或其药物组合物的用途，用于制造预防或治疗胃肠道运动异常疾病的药物。此外，本发明还涉及预防或治疗方法，包括给人或动物用药。本发明的化合物、其药学上可接受的盐或含有它们的药物组合物可与一种或多种第二活性剂结合使用。此外，本发明还涉及包含具有酸泵拮抗活性的化合物或其药学上可接受的盐的药物组合物和试剂盒，用于预防或治疗上述疾病。
• ACID PUMP ANTAGONIST FOR THE TREATMENT OF DISEASES INVOLVED IN ABNORMAL GASTROINTESTINAL MOTILITY
  申请人：Takahashi Nobuyuki

  公开号：US20120115820A1

  公开（公告）日：2012-05-10

  The present invention relates to a use of a compound having an acid pump antagonistic activity, a pharmaceutically acceptable salt thereof or a pharmaceutical composition thereof for the manufacture of a medicament for prevention or treatment of diseases in which abnormal gastrointestinal motility is involved. In addition, the present invention relates to the method of prevention or treatment including administering to a human or animal. The compound, the pharmaceutically acceptable salt thereof, or pharmaceutical compositions containing them, may be used in combination with one or more second active agent. Further, the present invention relates to pharmaceutical compositions and kits comprising a compound having an acid pump antagonistic activity or a pharmaceutically acceptable salt thereof for the prevention or treatment of said diseases.