N,N-dimethyl-3-[3-[(1-methylthio-2-nitroethenyl)amino]propoxy]benzenemethanamine | 72115-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N-dimethyl-3-[3-[(1-methylthio-2-nitroethenyl)amino]propoxy]benzenemethanamine
• 英文别名: 3-[3-[(dimethylamino)methyl]phenoxy]-N-(1-methylsulfanyl-2-nitroethenyl)propan-1-amine
• CAS: 72115-17-4
• 化学式: C₁₅H₂₃N₃O₃S
• 分子量: 325.432
• InChiKey: YOOXEDABRGKNFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-3-[3-[(1-methylthio-2-nitroethenyl)amino]propoxy]benzenemethanamine 在 ammonium hydroxide 作用下， 生成 N-[3-[3-[(dimethylamino)methyl]phenoxy]propyl]-2-nitro-1,1-ethenediamine
  参考文献：
  名称：

  DE2821410

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(3-aminopropoxy)-N,N-dimethylbenzenemethanamine 、 1,1-双(甲硫基)-2-亚硝基乙烯 以 四氢呋喃 为溶剂， 生成 N,N-dimethyl-3-[3-[(1-methylthio-2-nitroethenyl)amino]propoxy]benzenemethanamine
  参考文献：
  名称：

  DE2821410

  摘要：

  公开号：

文献信息

• Amine derivatives and pharmaceutical compositions containing them
  申请人：Glaxo Group Limited

  公开号：US04233302A1

  公开（公告）日：1980-11-11

  The invention relates to compounds of the general formula (I) ##STR1## and physiologically acceptable salts, N-oxides, hydrates and bioprecursors thereof, in which Y represents .dbd.O, .dbd.S, .dbd.CHNO.sub.2 or .dbd.NR.sub.3 where R.sub.3 represents hydrogen, nitro, cyano, lower alkyl, aryl, lower alkylsulphonyl or arylsulphonyl; R.sub.1 and R.sub.2, which may be the same or different, each represent hydrogen lower alkyl, cycloalkyl, lower alkenyl, aralkyl, hydroxy, lower trifluoroalkyl, lower alkyl substituted by hydroxy, lower alkoxy, amine, lower alkylamino or dialkylamino, or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached form a 5 to 7 membered heterocyclic ring which may contain other heteroatoms or the group ##STR2## where R.sub.4 represents hydrogen or lower alkyl; 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, or 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; X represents --CH.sub.2, --O-- or --S--; n represents zero, 1 or 2; m represents 2, 3 or 4; Alk represents a straight chain alkylene group of 1 to 3 carbon atoms; (except that n is not zero when X is oxygen and Q is a furan or thiophen ring system) q represents 2, 3 or 4 or can additionally represent zero or 1 when E is a --CH.sub.2 -group; p represents zero, 1 or 2; E represents --CH.sub.2 --, --O-- or --S--; and Z represents a monocyclic 5 or 6 membered carbocyclic or heterocyclic aromatic ring which may be optionally substituted by one or more groups or Z represents the group ##STR3## where Q' represents any of the rings defined for Q; Alk' represents any of the groups defined for Alk; and R.sub.5 and R.sub.6, which may be the same or different, each represent any of the groups defined for R.sub.1 and R.sub.2 ; (except that p is not zero when E is oxygen and Q' or Z is a furan or thiophen ring system). The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -antagonists.

  本发明涉及一般式(I)的化合物及其生理上可接受的盐、N-氧化物、水合物和生物前体，其中Y表示.dbd.O、.dbd.S、.dbd.CHNO.sub.2或.dbd.NR.sub.3，其中R.sub.3表示氢、硝基、氰基、低烷基、芳基、低烷基磺酰基或芳基磺酰基；R.sub.1和R.sub.2，可以相同也可以不同，分别表示氢、低烷基、环烷基、低烯基、芳基烷基、羟基、低三氟甲基、被羟基取代的低烷基、低烷氧基、胺基、低烷基氨基或二烷基氨基，或R.sub.1和R.sub.2与它们连接的氮原子一起形成一个5到7成员的杂环环，其中可能含有其他杂原子或基团##STR2##其中R.sub.4表示氢或低烷基；Q表示嵌入到分子其余部分的2-和5-位置之间的呋喃或噻吩环，或者是嵌入到分子其余部分的1-和3-或1-和4-位置之间的苯环；X表示--CH.sub.2、--O--或--S--；n表示零、1或2；m表示2、3或4；Alk表示1到3个碳原子的直链烷基；(除非X为氧且Q为呋喃或噻吩环系，否则n不为零)q表示2、3或4，当E为--CH.sub.2-基时，还可以表示零或1；p表示零、1或2；E表示--CH.sub.2--、--O--或--S--；Z表示一个单环5或6成员的碳环或杂环芳香环，可以选择性地被一个或多个基团取代，或者Z表示基团##STR3##其中Q'表示为Q所定义的任何环；Alk'表示为Alk所定义的任何基团；R.sub.5和R.sub.6，可以相同也可以不同，分别表示R.sub.1和R.sub.2所定义的任何基团；(除非E为氧且Q'或Z为呋喃或噻吩环系，否则p不为零)。式(I)化合物表现出作为选择性组胺H.sub.2-拮抗剂的药理活性。
• Aminoalkylthiophene derivatives as histamine H.sub.2 -antagonists
  申请人：Glaxo Group Limited

  公开号：US04304780A1

  公开（公告）日：1981-12-08

  The invention relates to compounds of the general formula (I) ##STR1## and physiologically acceptable salts, N-oxides, hydrates and bioprecursors thereof, in which Y represents .dbd.O, .dbd.S, .dbd.CHNO.sub.2 or .dbd.NR.sub.3 where R.sub.3 represents hydrogen, nitro, cyano, lower alkyl, aryl, lower alkylsulphonyl or arylsulphonyl; R.sub.1 and R.sub.2, which may be the same or different, each represent hydrogen lower alkyl, cycloalkyl, lower alkenyl, aralkyl, hydroxy, lower trifluoroalkyl, lower alkyl substituted by hydroxy, lower alkoxy, amine, lower alkylamino or dialkylamino, or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached form a 5 to 7 membered heterocyclic ring which may contain other heteroatoms or the group ##STR2## where R.sub.4 represents hydrogen or lower alkyl; 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, or 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; X represents --CH.sub.2 --, --O-- or --S--; n represents zero, 1 or 2; m represents 2, 3 or 4; Alk represents a straight chain alkylene group of 1 to 3 carbon atoms; (except that n is not zero when X is oxygen and Q is a furan or thiophen ring system) q represents 2, 3 or 4 or can additionally represent zero or 1 when E is a --CH.sub.2 --group; p represents zero, 1 or 2; E represents --CH.sub.2 --, --O-- or --S--; and Z represents a monocyclic 5 or 6 membered carbocyclic or heterocyclic aromatic ring which may be optionally substituted by one or more groups or Z represents ##STR3## where Q' represents any of the rings defined for Q; Alk' represents any of the groups defined for Alk; and R.sub.5 and R.sub.6, which may be the same or different, each represent any of the groups defined for R.sub.1 and R.sub.2 ; (except that p is not zero when E is oxygen and Q' or Z is a furan or thiophen ring system) The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -antagonists.

  该发明涉及通式（I）的化合物及其生理上可接受的盐、N-氧化物、水合物和生物前体，其中Y代表.dbd.O、.dbd.S、.dbd.CHNO.sub.2或.dbd.NR.sub.3，其中R.sub.3代表氢、硝基、氰基、低碳基、芳基、低碳基磺酰基或芳基磺酰基；R.sub.1和R.sub.2，可相同可不同，各代表氢、低碳基、环烷基、低烯基、芳基烷基、羟基、低三氟甲基、被羟基取代的低碳基、低烷氧基、胺基、低烷基氨基或二烷基氨基，或R.sub.1和R.sub.2与它们所附着的氮原子共同形成一个含有其他杂原子或基团的5到7成员杂环，其中R.sub.4代表氢或低碳基；Q代表通过2-和5-位置的键结合到分子其余部分的呋喃或噻吩环，或通过1-和3-或1-和4-位置的键结合到分子其余部分的苯环；X代表--CH.sub.2 --、--O--或--S--；n代表零、1或2；m代表2、3或4；Alk代表1到3个碳原子的直链烷基；（除非X为氧且Q为呋喃或噻吩环系，否则n不为零）q代表2、3或4，或当E为--CH.sub.2 --基团时，还可以表示零或1；p代表零、1或2；E代表--CH.sub.2 --、--O--或--S--；Z代表可以选择性地被一个或多个基团取代的单环5或6成员碳环或杂环芳香环，或Z代表##STR3##其中Q'表示为Q定义的任何环；Alk'表示为Alk定义的任何基团；R.sub.5和R.sub.6，可相同可不同，各代表R.sub.1和R.sub.2定义的任何基团；（除非E为氧且Q'或Z为呋喃或噻吩环系，否则p不为零）。通式（I）的化合物表现出选择性组胺H.sub.2-拮抗剂的药理活性。
• DE2821410
  申请人：——

  公开号：——

  公开（公告）日：——