N,N-dimethyl-5-[[[2-[(1-methylthio-2-nitroethenyl)amino]ethyl]thio]methyl]-2-furanmethanamine | 72115-14-1

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethyl-5-[[[2-[(1-methylthio-2-nitroethenyl)amino]ethyl]thio]methyl]-2-furanmethanamine
• 英文别名: 1-{2-[[5-(dimethylamino)methyl-furan-2-yl]methylthio]ethylamino}-1-methylthio-2-nitroethene；N,N-Dimethyl-5-[[[2-[[1-(methylthio)-2-nitroethenyl]amino]ethyl]thio]methyl]-2-furanmethanamine；(Z)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine
• CAS: 72115-14-1
• 化学式: C₁₃H₂₁N₃O₃S₂
• 分子量: 331.46
• InChiKey: AOAHQGSFXWFCFB-LCYFTJDESA-N

物化性质

• 熔点：
  68-70°C
• 沸点：
  445.7±45.0 °C(Predicted)
• 密度：
  1.224±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-5-[[[2-[(1-methylthio-2-nitroethenyl)amino]ethyl]thio]methyl]-2-furanmethanamine 生成 2-[[(Z)-1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethenyl]amino]-1-(3-methoxyphenyl)ethanol
  参考文献：
  名称：

  HIRAI, SHIRO;HIRANO, HIROSHI;ARAI, HIROTOSHI;KIBA, YASUO;SHIBATA, HISANAR+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺 、 1,1-双(甲硫基)-2-亚硝基乙烯 生成 N,N-dimethyl-5-[[[2-[(1-methylthio-2-nitroethenyl)amino]ethyl]thio]methyl]-2-furanmethanamine
  参考文献：
  名称：

  HIRAI, SHIRO;HIRANO, HIROSHI;ARAI, HIROTOSHI;KIBA, YASUO;SHIBATA, HISANAR+

  摘要：

  DOI：

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.

  该发明涉及通式（I）的化合物##STR1##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、较低的烷基、芳基、较低的烷基磺酰基或芳基磺酰基；R.sub.1和R.sub.2，可能相同也可能不同，每个代表氢、较低的烷基、环烷基、较低的烯基、芳基烷基、羟基、较低三氟甲基、被羟基、较低的烷氧基、胺基、较低的烷基胺基或二烷基胺基取代的较低烷基，或者R.sub.1和R.sub.2与它们连接的氮原子一起形成一个含有其他杂原子的5至7成员杂环，或者组##STR2##其中R.sub.4代表氢或较低的烷基；Q代表将其并入分子其余部分的2-和5-位置键合的呋喃或噻吩环，或者将其并入分子其余部分的1-和3-或1-和4-位置键合的苯环；X代表--CH.sub.2、--O--或--S--；n表示零、1或2；m表示2、3或4；Alk代表1至3个碳原子的直链烷基基团；（除非当X为氧且Q为呋喃或噻吩环系时n不为零）q表示2、3或4，或者当E为--CH.sub.2-基团时还可以表示零或1；p表示零、1或2；E代表--CH.sub.2--、--O--或--S--；Z代表可以选择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，或者Z代表组##STR3##其中Q'代表Q定义的任何环之一；Alk'代表Alk定义的任何基团；R.sub.5和R.sub.6，可能相同也可能不同，每个代表R.sub.1和R.sub.2定义的任何基团；（除非当E为氧且Q'或Z为呋喃或噻吩环系时p不为零）。通式（I）的化合物显示作为选择性组胺H.sub.2-拮抗剂的药理活性。
• Amine derivatives
  申请人：Glaxo Group Limited

  公开号：US04264614A1

  公开（公告）日：1981-04-28

  The invention provides compounds of general formula ##STR1## and physiologically acceptable salts, hydrates and bioprecursors thereof, in which Y and Z, which may be the same or different, each represent oxygen, sulphur, =CHNO.sub.2 or =NR.sub.3 where R.sub.3 is hydrogen, nitro, cyano, lower alkyl, aryl, alkylsulphonyl or arylsulphonyl; p has a value from 2 to 12; R.sub.1 represents ##STR2## in which R.sub.4 and R.sub.5 which may be the same or different, each represent hydrogen, lower alkyl, cycloalkyl, lower alkenyl, aralkyl or lower alkyl interrupted by an oxygen atom or a group >N-R.sub.6 in which R.sub.6 represents hydrogen or lower alkyl, or R.sub.4 and R.sub.5 together with the nitrogen atom to which they are attached form a 5 to 7-membered saturated heterocyclic ring which may contain an additional oxygen atom or the group >NR.sub.6 ; 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 or 1; m represents 2, 3 or 4 and Alk represents a straight chain alkylenegroup of 1 to 3 carbon atoms; and R.sub.2 represents lower alkyl or the group --(CH.sub.2).sub.y E(CH.sub.2).sub.x G in which Y represents 2, 3 or 4 or can additionally represent zero or 1 when E is a --CH.sub.2 -- group; x represents zero, 1 or 2; E represents --CH.sub.2 --, --0-- or --S--; and G represents a monocyclic 5 or 6 membered carbocyclic or heterocyclic aromatic ring, or G 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.4 ' and R.sub.5 ' which may be the same or different represent any of the groups defined for R.sub.4 or R.sub.5. The compounds of formula (I) have pharmacological activity as selective histamine H.sub.2 -antagonists.

  该发明提供了通式##STR1##的化合物及其生理上可接受的盐、水合物和生物前体，其中Y和Z，可能相同或不同，分别代表氧、硫、=CHNO.sub.2或=NR.sub.3，其中R.sub.3为氢、硝基、氰基、低碳基、芳基、烷基磺酰基或芳基磺酰基；p的值为2到12；R.sub.1代表##STR2##其中R.sub.4和R.sub.5可能相同或不同，分别代表氢、低碳基、环烷基、低烯基、芳基烷基或被氧原子或> N-R.sub.6组中断的低烷基，其中R.sub.6代表氢或低烷基，或R.sub.4和R.sub.5与它们连接的氮原子一起形成一个5到7个成员的饱和杂环环，该环可以包含一个额外的氧原子或组> NR.sub.6；Q代表通过2和5位置的键与分子其余部分结合的呋喃或噻吩环，或者通过1和3或1和4位置的键与分子其余部分结合的苯环；X代表--CH.sub.2 --、--O--或--S--；n代表零或1；m代表2、3或4，Alk代表1到3个碳原子的直链烷基；R.sub.2代表低烷基或该组--(CH.sub.2).sub.y E(CH.sub.2).sub.x G，其中Y代表2、3或4，或者当E为--CH.sub.2 --组时，可以额外表示零或1；x代表零、1或2；E代表--CH.sub.2 --、--0--或--S--；G代表单环5或6成员的碳环或杂环芳香环，或G代表该组##STR3##其中Q'表示Q定义的任何环；Alk'表示Alk定义的任何基团；R.sub.4'和R.sub.5'可能相同或不同，表示R.sub.4或R.sub.5定义的任何基团。公式（I）的化合物具有选择性组胺H.sub.2-拮抗剂的药理活性。
• Amine derivatives, their preparation and pharmaceutical compositions containing them
  申请人：GLAXO GROUP LIMITED

  公开号：EP0002930A1

  公开（公告）日：1979-07-11

  The invention relates to compounds of the general formula (I) and physiologically acceptable salts, N-oxides, hydrates and bioprecursors thereof, in which Y represents =0, =S, =CHNO2 or =NR3 where R3 represents hydrogen, nitro, cyano, lower alkyl, aryl, lower alkylsulphonyl or arylsulphonyl; R1 and R2, 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 R1 and R2 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 where R4 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-CH2-,-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 -CH2-group; p represents zero, 1 or 2; E represents-CN2-,-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 where Q' represents any of the rings defined for Q; Alk' represents any of the groups defined for Alk: and R5 and R6, which may be the same or different, each represent any of the groups defined for R1 and R2; (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 H2-antagonists.

  本发明涉及通式(I)化合物 及其生理学上可接受的盐、N-氧化物、水合物和生物前体，其中 Y 代表 =0、=S、=CHNO2 或 =NR3 其中 R3 代表氢、硝基、氰基、低级烷基、芳基、低级烷基磺酰基或芳基磺酰基；R1 和 R2（可以相同或不同）分别代表氢、低级烷基、环烷基、低级烯基、芳烷基、羟基、低级三氟烷基、被羟基取代的低级烷基、低级烷氧基、胺、低级烷基氨基或二烷基氨基，或 R1 和 R2 与它们所连接的氮原子一起形成一个 5 至 7 个成员的杂环，该杂环可能含有其他杂原子或基团 其中 R4 代表氢或低级烷基；Q 代表呋喃环或噻吩环，通过 2 位和 5 位的键与分子的其余部分结合，或代表苯环，通过 1 位和 3 位或 1 位和 4 位的键与分子的其余部分结合； X 代表-CH2-、-O-或-S-； n 代表零、1 或 2 m 代表 2、3 或 4； Alk 代表 1 至 3 个碳原子的直链亚烷基；（但当 X 是氧且 Q 是呋喃或噻吩环系时，n 不为零） q 代表 2、3 或 4，当 E 为-CH2-基团时，可另外代表 0 或 1； p 代表 0、1 或 2； E 代表-CN2-、-O-或-S-；以及 Z 代表可被一个或多个基团任选取代的单环 5 或 6 位碳环或杂环芳香环，或 Z 代表以下基团 其中 Q' 代表为 Q 定义的任何环； Alk' 代表为 Alk 定义的任何基团：以及 R5 和 R6（可以相同或不同）各自代表为 R1 和 R2 定义的任何基团；（但当 E 为氧，且 Q' 或 Z 为呋喃或噻吩环系时，p 不为零。 式（I）化合物具有选择性组胺 H2- 拮抗剂的药理活性。
• Aromatic compounds, processes for their preparation and their use
  申请人：BEECHAM GROUP PLC

  公开号：EP0057981A2

  公开（公告）日：1982-08-18

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: wherein: a is 1 to 3; b is 0 to 2; c is 2 to 4; d is 1 to 5; X is sulphur, oxygen or -CH2-; Y is oxygen, sulphur, NR4 or CHR5 wherein R4 is hydrogen, C1-4 alkyl, NO2 or CN, C1-4 alkylsulphonyl or phenylsulphonyl optionally substituted in the phenyl moiety by one or two substituents selected from C1-4 alkyl, C1-4 alkoxy, fluorine, chlorine or bromine, and R5 is N02, C1-4 alkylsulphonyl or optionally substituted phenylsulphonyl as defined for R4; R1 and R2 are independently hydrogen, C1-4 alkyl, or C3-6 cycloalkyl; or R1 and R2 taken together with the nitrogen to which they are attached represent a pyrrolidino or piperidino ring; R6 and R7 are independently hydrogen or C1-6 alkyl; and Ar is furan or thiophene attached at positions 2 and 5- or benzene attached at positions 1- and 3- or 1- and 4-, having useful pharmacological activity, processes for their preparation and their use.

  式(I)化合物及其药学上可接受的盐类： 其中 a 是 1 至 3 b 是 0 至 2 c 为 2 至 4 d 是 1 至 5； X 是硫、氧或-CH2-； Y 是氧、硫、NR4 或 CHR5，其中 R4 是氢、C1-4 烷基、NO2 或 CN、C1-4 烷基磺酰基或苯基磺酰基，可任选被选自 C1-4 烷基、C1-4 烷氧基、氟、氯或溴的一个或两个取代基取代；R5 是 N02、C1-4 烷基磺酰基或任选被取代的苯基磺酰基，如 R4 所定义； R1 和 R2 独立地为氢、C1-4 烷基或 C3-6 环烷基；或 R1 和 R2 与它们所连接的氮一起代表吡咯烷或哌啶环； R6 和 R7 独立地为氢或 C1-6 烷基；以及 Ar是连接在2-和5-位的呋喃或噻吩，或连接在1-和3-位或1-和4-位的苯，具有有用的药理活性、制备工艺和用途。
• Furan derivatives having anti-ulcer activity
  申请人：AUSONIA FARMACEUTICI S.r.l.

  公开号：EP0164040A2

  公开（公告）日：1985-12-11

  Compounds of formula (I): wherein: A represents a CH-N02 group or a N-Cn group; B represents CH2, O, S or a direct bond; R represents a bicyclic or polycyclic residue, variously substituted and functionalized; R1 and R2, which may be the same or different, are hydrogen or C1-C4 alkyl groups; and n and m, which may be the same or different, are O,1, 2, 3 or 4; are valuable pharmacological agents.

  式(I)化合物： 其中 A 代表 CH-N02 基团或 N-Cn 基团； B 代表 CH2、O、S 或直接键 R 代表经不同取代和官能化的双环或多环残基； R1 和 R2（可以相同或不同）是氢或 C1-C4 烷基；以及 n 和 m（可以相同或不同）为 O、1、2、3 或 4； 是有价值的药剂。