N³-[4-(3-piperidin-1-ylmethyl-phenoxy)-butyl]-1H-[1,2,4]triazole-3,5-diamine | 73287-84-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N³-[4-(3-piperidin-1-ylmethyl-phenoxy)-butyl]-1H-[1,2,4]triazole-3,5-diamine
• 英文别名: N5-[4-[3-(1-Piperidinylmethyl)phenoxy]butyl]1H-1,2,4-triazole-3,5-diamine；N5-[4-[3-(1-Piperidinylmethyl)phenoxy]butyl]-1H-1,2,4-triazole-3,5-diamine；3-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazole-3,5-diamine
• CAS: 73287-84-0
• 化学式: C₁₈H₂₈N₆O
• 分子量: 344.46
• InChiKey: MERQFKFUUONQOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  92.1
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,5-二氨基-1,2,4-三氮唑 、 4-[3-(1-piperidylmethyl)-phenoxy]-butyroamidine 在 sodium borohydrid 作用下， 以 乙醇 为溶剂， 生成 N³-[4-(3-piperidin-1-ylmethyl-phenoxy)-butyl]-1H-[1,2,4]triazole-3,5-diamine
  参考文献：
  名称：

  1,2,4-Triazole-3,5-diamine derivatives

  摘要：

  该发明涉及式(I)的化合物及其生理上可接受的盐、水合物和生物前体，其中R.sub.1和R.sub.2代表氢、脂肪族或环脂族基团，或者R.sub.1和R.sub.2与氮原子一起形成5到10元杂环环：Alk代表直链或支链烷基链；Q代表噻吩或苯环，其嵌入到分子的其余部分中；X代表--CH.sub.2 --，--O--或--S--，其中R.sub.6代表氢或甲基；n代表零、1或2；m代表2、3或4；R.sub.3代表氢、取代或未取代的脂肪族或芳基团；R.sub.4和R.sub.5，可以相同也可以不同，每个代表氢、取代或未取代的脂肪族、芳基，或者与氮原子一起形成杂环基团。

  公开号：

  US04318913A1

文献信息

• 1H-1,2,4-Triazole-3,5-diamine derivatives and use as selective histamine
  申请人：Glaxo Group Limited

  公开号：US04442110A1

  公开（公告）日：1984-04-10

  The invention relates to compounds of the general formula (I) ##STR1## and physiologically acceptable salts, hydrates and bioprecursors thereof, in which R.sub.1 and R.sub.2, which may be the same or different, each represent hydrogen, C.sub.1-10 alkyl, cycloalkyl, alkenyl, alkynyl, aralkyl, trifluoroalkyl or alkyl substituted by hydroxy, alkoxy, amino, alkylamino, dialkylamino or cycloalkyl, or R.sub.1 and R.sub.2 may together with the nitrogen atom to which they are attached form a 5 to 10 membered alicyclic heterocyclic ring which may be saturated or may contain at least one double bond, may be unsubstituted or may be substituted by one or more C.sub.1-3 alkyl groups or a hydroxy group and/or may contain another heteroatom; Alk represents a straight or branched alkylene chain of 1 to 6 carbon atoms; Q represents a furan or thiophen ring in which incorporation into the rest of the molecule is through bonds at the 2- and 5-positions, the furan ring optionally bearing a further substituent R.sub.7 adjacent to the group R.sub.1 R.sub.2 N-Alk-, or Q represents a benzene ring in which incorporation into the rest of the molecule is through bonds at the 1- and 3- or 1- and 4- positions; R.sub.7 represents halogen or C.sub.1-4 alkyl which may be substituted by hydroxy or C.sub.1-4 alkoxy; X represents --CH.sub.2 --, ##STR2## --O-- or --S-- where R.sub.6 represents hydrogen or methyl; n represents zero, 1 or 2; m represents 2, 3 or 4; R.sub.3 represents hydrogen, alkyl, alkenyl, aralkyl, hydroxyalkyl having at least two carbon atoms, alkoxyalkyl or aryl; and R.sub.4 and R.sub.5, which may be the same or different, each represent hydrogen, alkyl, alkyl substituted by hydroxy or C.sub.1-3 alkoxy, alkenyl, aralkyl or heteroaralkyl or R.sub.4 and R.sub.5 may together with the nitrogen atom to which they are attached form a 5 to 7-membered saturated heterocyclic ring which may contain another heteroatom, or the group ##STR3## or R.sub.4 and R.sub.5 taken together may represent the group .dbd.CR.sub.8 R.sub.9 where R.sub.8 represents aryl or heteroaryl and R.sub.9 represents hydrogen or alkyl. Preferably when X represents an oxygen atom or ##STR4## and n is zero, then Q only represents a benzene ring. The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -antagonists.

  本发明涉及通式（I）的化合物，以及其生理上可接受的盐、水合物和生物前体，其中R.sub.1和R.sub.2，可以相同也可以不同，分别代表氢、C.sub.1-10烷基、环烷基、烯基、炔基、芳基烷基、三氟甲基或被羟基、烷氧基、氨基、烷基氨基、二烷基氨基或环烷基取代的烷基，或R.sub.1和R.sub.2可以与它们附着的氮原子一起形成一个5到10个成员的脂环杂环，该脂环杂环可以饱和或可以含有至少一个双键，可以是未取代的或可以被一个或多个C.sub.1-3烷基基团或羟基基团取代，也可以包含另一个杂原子；Alk代表1到6个碳原子的直链或支链烷基链；Q代表呋喃或噻吩环，其中结合到分子的其余部分是通过2-和5-位置的键，呋喃环可以选择地带有R.sub.1 R.sub.2 N-Alk-基团相邻的另一个取代基R.sub.7，或Q代表苯环，其中结合到分子的其余部分是通过1-和3-或1-和4-位置的键；R.sub.7代表卤素或C.sub.1-4烷基，可以被羟基或C.sub.1-4烷氧基取代；X代表--CH.sub.2 --、##STR2## --O--或--S--，其中R.sub.6代表氢或甲基；n代表零、1或2；m代表2、3或4；R.sub.3代表氢、烷基、烯基、芳基烷基、至少有两个碳原子的羟基烷基、烷氧基烷基或芳基；R.sub.4和R.sub.5，可以相同也可以不同，分别代表氢、烷基、被羟基或C.sub.1-3烷氧基取代的烷基、烯基、芳基烷基或杂芳基烷基，或R.sub.4和R.sub.5可以与它们附着的氮原子一起形成一个5到7个成员的饱和杂环，该杂环可以包含另一个杂原子，或者是基团##STR3##或R.sub.4和R.sub.5一起代表.dbd.CR.sub.8 R.sub.9基团，其中R.sub.8代表芳基或杂芳基，R.sub.9代表氢或烷基。当X代表氧原子或##STR4##且n为零时，最好Q仅代表苯环。公式（I）的化合物表现出选择性组胺H.sub.2-拮抗剂的药理活性。
• 3-[3-[1-piperidinylmethyl]phenoxy]propanamine
  申请人：Glaxo Group Limited

  公开号：US04764612A1

  公开（公告）日：1988-08-16

  The invention relates to compounds of the general formula (I) ##STR1## and physiologically acceptable salts, hydrates and bioprecursors thereof, in which the variables are as defined in the specification. The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -antagonists. Also disclosed are intermediates in the preparation of the compounds of the formula (I).

  本发明涉及通式（I）的化合物及其生理上可接受的盐、水合物和生物前体，其中变量如规范中所定义。式（I）化合物显示出作为选择性组胺H.sub.2 -拮抗剂的药理活性。本发明还揭示了制备式（I）化合物的中间体。