3-(pyridin-2-ylmethylthio)-propionic acid methyl ester

• 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: 3-(pyridin-2-ylmethylthio)-propionic acid methyl ester
• 英文别名: methyl 3-[(pyridin-2-ylmethyl)thio]propanoate；3-(2-pyridylmethylthio)-propionic acid methyl ester；methyl 3-[(2-pyridylmethyl)thio]propanoate；Methyl 3-(pyridin-2-ylmethylsulfanyl)propanoate
• 化学式: C₁₀H₁₃NO₂S
• 分子量: 211.285
• InChiKey: CHDNHYTYQAPPFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(pyridin-2-ylmethylthio)-propionic acid methyl ester 以2.5 g (97%)的产率得到2-(pyridin-2-ylmethylthio)propanoic acid
  参考文献：
  名称：

  Substituted dibenzoxazepine compounds

  摘要：

  本发明提供了一种 Formula I 的二苯并噁唑烷化合物：##STR1##，这些化合物可用作治疗疼痛的止痛剂，包括在药物组合物中含有 Formula I 化合物的治疗有效量与药用载体的药物组合物，以及一种消除或减轻动物疼痛的方法，包括向动物施用 Formula I 化合物的治疗有效量。

  公开号：

  US05378840A1

文献信息

• Antisecretory heterocyclic amidine compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04252819A1

  公开（公告）日：1981-02-24

  Novel heterocyclic compounds shown by the formula ##STR1## wherein Het represents a 5-membered or 6-membered heterocyclic group which may have substituent(s); Z represents a sulfur atom or oxygen atom; X represents an oxygen atom or the unsubstituted or substituted imino group shown by N--R.sub.1 (wherein R.sub.1 is a hydrogen atom, a lower alkyl group, a cyano group, an unsubstituted or alkyl substituted carbamoyl group, an unsubstituted or lower alkyl substituted thiocarbamoyl group, or a lower alkanoylamino group); Y represents a hydrogen atom, a lower alkyl group which may have substituent(s), a cycloalkyl group of 3-6 carbon atoms, a lower alkenyl group, a lower alkynyl group, an aryl group which may have substituent(s), an aralkyl group which may have substituent(s), a hydroxyl group, a cyano group, a carbamoyl group, an amidino group, an alkanoyl group which may have been substituted by halogen atom(s), an alkanoylamino group, an arylcarbonylamino group, an alkylamino group, an arylamino group, an arylsulfamoyl group, a lower alkoxycarbamoyl group, or an oxamoylamino group; and m and n represent an integer of 1-3; when X is N-R.sub.1, said X and Y may combine with each other to form a 5-membered or 6-membered heterocyclic ring containing 2-3 nitrogen atoms which may have substituent(s), and the pharmaceutically acceptable acid addition salts thereof. The compounds of this invention are useful as gastric acid secretion inhibitors.

  本发明涉及一种新型杂环化合物，其化学式如下：##STR1##其中，Het代表一个5-或6-成员杂环基团，可以具有取代基；Z代表硫原子或氧原子；X代表氧原子或N-R.sub.1所示的未取代或取代亚胺基团（其中R.sub.1为氢原子、较低烷基基团、氰基、未取代或烷基取代的氨基甲酰基团、未取代或较低烷基取代的硫代氨基甲酰基团或较低烷酰胺基团）；Y代表氢原子、可能具有取代基的较低烷基基团、3-6个碳原子的环烷基基团、较低烯基基团、较低炔基基团、可能具有取代基的芳基团、可能具有取代基的芳基烷基团、羟基、氰基、氨基甲酰基团、胺基甲酰基团、可能已被卤素原子取代的酰基基团、酰胺基甲酰基团、芳基甲酰胺基团、烷基胺基团、芳基胺基团、芳基磺酰胺基团、较低烷氧基甲酰基团或氧代氨基甲酰基团；m和n代表1-3的整数；当X为N-R.sub.1时，所述的X和Y可以结合在一起形成一个含有2-3个氮原子的5-或6-成员杂环环，该环可能具有取代基，并且其在药学上可接受的酸盐。本发明的化合物可用作胃酸分泌抑制剂。
• Antisecretory imidazole amidine compounds, composition and method of use
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04379158A1

  公开（公告）日：1983-04-05

  Novel heterocyclic compounds shown by the formula ##STR1## wherein Het represents a 5-membered or 6-membered heterocyclic group which may have substituent(s); Z represents a sulfur atom or oxygen atom; X represents an oxygen atom or the unsubstituted or substituted imino group shown by N--R.sub.1 (wherein R.sub.1 is a hydrogen atom, a lower alkyl group, a cyano group, an unsubstituted or alkyl substituted carbamoyl group, an unsubstituted or lower alkyl substituted thiocarbamoyl group, or a lower alkanoylamino group); Y represents a hydrogen atom, a lower alkyl group which may have substituent(s), a cycloalkyl group of 3-6 carbon atoms, a lower alkenyl group, a lower alkynyl group, an aryl group which may have substituent(s), an aralkyl group which may have substituent(s), a hydroxyl group, a cyano group, a carbamoyl group, an amidino group, an alkanoyl group which may have been substituted by halogen atom(s), an alkanoylamino group, an arylcarbonylamino group, an alkylamino group, an arylamino group, an arylsulfamoyl group, a lower alkoxycarbamoyl group, or an oxamoylamino group; and m and n represent an integer of 1-3; when X is N--R.sub.1, said X and Y may combine with each other to form a 5-membered or 6-membered heterocyclic ring containing 2-3 nitrogen atoms which may have substituent(s), and the pharmacologically acceptable acid addition salts thereof. The compounds of this invention are useful as gastric acid secretion inhibitors.

  本发明涉及一种新颖的杂环化合物，其化学式为##STR1##其中Het代表一个含有取代基的5元或6元杂环基团；Z代表硫原子或氧原子；X代表氧原子或N--R.sub.1所示的未取代或取代亚胺基团（其中R.sub.1代表氢原子、较低烷基基团、氰基、未取代或烷基取代的氨基甲酰基团、未取代或较低烷基取代的硫代氨基甲酰基团或较低烷酰氨基基团）；Y代表氢原子、可能带有取代基的较低烷基基团、3-6碳原子的环烷基基团、较低烯基基团、较低炔基基团、可能带有取代基的芳基、可能带有取代基的芳基烷基基团、羟基、氰基、氨基甲酰基团、酰胺基团、可能已被卤原子取代的酰基基团、酰氨基基团、芳基羰胺基团、烷基氨基基团、芳基氨基基团、芳基磺酰氨基基团、较低烷氧基羰胺基团或氧代氨基基团；m和n代表1-3的整数；当X为N--R.sub.1时，所述的X和Y可以结合在一起形成一个含有2-3个氮原子的5元或6元杂环环，该环可能带有取代基，并且其药理学上可接受的酸盐。本发明的化合物可用作胃酸分泌抑制剂。
• Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use
  申请人：G.D. Searle & Co.

  公开号：EP0512400A1

  公开（公告）日：1992-11-11

  The present invention provides dibenzoxazepine compounds of Formula I: which are useful as analgesic agents for the treatment of pain, pharmaceutical compositions comprising a therapeutically-effective amount of a compound of Formula I in combination with a pharmaceutically-acceptable carrier, and a method for eliminating or ameliorating pain in an animal comprising administering a therapeutically-effective amount of a compound of Formula I to the animal.

  本发明提供了式 I 的二苯并氧氮杂卓化合物： 可用作治疗疼痛的镇痛剂；包含治疗有效量的式 I 化合物与药学上可接受的载体的药物组合物；以及消除或改善动物疼痛的方法，该方法包括对动物施用治疗有效量的式 I 化合物。
• SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE
  申请人：G.D. SEARLE & CO.

  公开号：EP0583421A1

  公开（公告）日：1994-02-23
• US4252819A
  申请人：——

  公开号：US4252819A

  公开（公告）日：1981-02-24