4-[[2-(amino)ethyl]thio]methyl-N,N-dimethyl-2-thiophenemethanamine | 78909-01-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[[2-(amino)ethyl]thio]methyl-N,N-dimethyl-2-thiophenemethanamine
• 英文别名: 2-[(5-dimethylaminomethyl-thien-3-yl)methylthio]ethylamine；4-[[2-(Amino)ethyl]thio]methyl-N.N-dimethyl-2-thiophenemethanamine；2-[(5-dimethylaminomethyl-3-thienyl)methylthio]ethylamine；2-[[5-[(dimethylamino)methyl]thiophen-3-yl]methylsulfanyl]ethanamine
• CAS: 78909-01-0
• 化学式: C₁₀H₁₈N₂S₂
• 分子量: 230.398
• InChiKey: BLFKWJYXLDMOEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  82.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[[2-(amino)ethyl]thio]methyl-N,N-dimethyl-2-thiophenemethanamine 以 甲醇 、 1-氨基-2-甲氧基-环丁-1-烯-3,4-二酮 为溶剂， 生成 1-Amino-2-{2-[(5-dimethylaminomethyl-thien-3-yl)methylthio]ethylamino}cyclobutene-3,4-dione
  参考文献：
  名称：

  Chemical compounds

  摘要：

  式为##STR1##的化合物，其中R.sup.12是一个离去基团，Z是S、O或CH.sub.2，A是一个苯基、呋喃基、噻吩基或吡啶基，它们被一个##STR2##基团取代，其中R.sup.8和R.sup.9是不同的取代基，或者与氮一起可能是一个特定的杂环环，是组成组织胺H.sub.2-拮抗剂抗溃疡药物的中间体，其分子式为##STR3##，其中R.sup.1和R.sup.2是若干指定的取代基。

  公开号：

  US04522943A1
• 作为产物：
  描述：

  半胱胺盐酸盐 、 2-噻吩甲醇 在 sodium carbonate 作用下， 以 盐酸 为溶剂， 生成 4-[[2-(amino)ethyl]thio]methyl-N,N-dimethyl-2-thiophenemethanamine
  参考文献：
  名称：

  Triazole amine compounds, their pharmaceutical compositions and method

  摘要：

  该发明提供了一般式（I）的化合物##STR1##及其生理上可接受的盐、水合物和生物前体，在其中取代基在详细描述中定义。这些化合物显示了作为选择性组织胺H.sub.2受体拮抗剂的药理活性。

  公开号：

  US04670448A1

文献信息

• 2,5-disubstituted-4(3H)-pyrimidones having histamine H.sub.2 -receptor
  申请人：Bristol-Myers Company

  公开号：US04772704A1

  公开（公告）日：1988-09-20

  Histamine H.sub.2 -antagonists of the formula: ##STR1## wherein m is an integer of from zero to 2, inclusive; n is an integer of from 2 to 5 inclusive; Z is sulfur, oxygen or methylene; R.sup.1 is NO.sub.2 or NR.sup.2 R.sup.3 ; R.sup.2 and R.sup.3 each are independently hydrogen or (lower)alkyl, or, when R.sup.2 is hydrogen, R.sup.3 also may be formyl, carboalkoxy, alkanoyl or benzoyl; A is phenyl, furyl, thienyl, pyridyl, thiazolyl, imidazolyl, oxazolyl, oxadiazolyl, thiadiazolyl, triazolyl, isoxazolyl, isothiazolyl, pyrimidinyl, pyrazolyl, pyridazinyl or pyrazinyl; provided that A contains one or two substituents, the first substituent being selected from ##STR2## and the second substituent being selected from (lower)alkyl, hydroxy, trifluoromethyl, halogen, amino, hydroxymethyl and (lower)alkoxy; q is an integer of from 0 to 6, inclusive; R.sup.4 is a hydrogen atom, a (lower)alkyl group optionally substituted by one or more halogen atoms, provided that there is no halogen atom on the carbon atom attached to the nitrogen atom, or a cyclo(lower)alkyl, cyclo(lower)alkyl(lower)alkyl, (lower)alkanoyl or benzoyl group; R.sup.6 and R.sup.7 each are independently hydrogen, (lower)alkyl, (lower)alkenyl, (lower)alkynyl, phenyl(lower)alkyl or (lower)alkoxy(lower)alkyl in which the (lower)alkoxy moiety is at least two carbon atoms removed from the nitrogen atom, or R.sup.6 and R.sup.7, taken together with the nitrogen atom to which they are attached, may be pyrrolidino, methylpyrrolidino, dimethylpyrrolidino, morpholino, thiomorpholino, piperidino, methylpiperidino, dimethylpiperidino, hydroxypiperidino, N-methylpiperazino, homopiperidino, heptamethyleneimino, octamethyleneimino or 3-azabicyclo[3.2.2]non-3-yl; or a nontoxic pharmaceutically acceptable acid addition salt thereof.

  组方的组胺H.sub.2-拮抗剂的化学式：其中m是从零到2的整数，包括0和2；n是从2到5的整数，包括2和5；Z是硫、氧或亚甲基；R.sup.1是NO.sub.2或NR.sup.2R.sup.3；R.sup.2和R.sup.3分别独立地是氢或(较低)烷基，或者当R.sup.2是氢时，R.sup.3也可以是甲酰基、羧烷氧基、烷酰基或苯甲酰基；A是苯基、呋喃基、噻吩基、吡啶基、噻唑基、咪唑基、噁唑基、噁二唑基、噻二唑基、三唑基、异噁唑基、异噻唑基、嘧啶基、吡唑基、吡啶嗪基或吡嗪基；前提是A含有一个或两个取代基，第一个取代基选自##STR2##，第二个取代基选自(较低)烷基、羟基、三氟甲基、卤素、氨基、羟甲基和(较低)烷氧基；q是从0到6的整数，包括0和6；R.sup.4是氢原子，一个(较低)烷基基团，可选地取代一个或多个卤素原子，前提是没有卤素原子连接到氮原子的碳原子上，或者是环(较低)烷基、环(较低)烷基(较低)烷基、(较低)烷酰基或苯甲酰基；R.sup.6和R.sup.7分别独立地是氢、(较低)烷基、(较低)烯基、(较低)炔基、苯基(较低)烷基或(较低)烷氧基(较低)烷基，其中(较低)烷氧基部分至少与氮原子相隔两个碳原子，或者R.sup.6和R.sup.7与它们连接的氮原子一起，可以是吡咯啉基、甲基吡咯啉基、二甲基吡咯啉基、吗啉基、硫吗啉基、哌啶基、甲基哌啶基、二甲基哌啶基、羟基哌啶基、N-甲基哌嗪基、环己亚哌啉基、环庚亚哌啉基或3-氮杂双环[3.2.2]壬-3-基；或其无毒的药学上可接受的酸盐。
• Thiophene derivatives and their pharmaceutical compositions and method
  申请人：Glaxo Group Limited

  公开号：US04382929A1

  公开（公告）日：1983-05-10

  The invention provides compounds of the general formula (I) ##STR1## and physiologically acceptable salts, hydrates and bioprecursors thereof, in which one of R.sub.1 and R.sub.2 represents hydrogen, halogen or a C.sub.1-4 alkyl group which may be optionally substituted by hydroxy or C.sub.1-4 alkoxy, and the other represents the group R.sub.4 R.sub.5 NAlk-- in which R.sub.4 represents hydrogen, C.sub.1-10 alkyl, cycloalkyl, alkenyl, alkynyl, aralkyl, heteroaralkyl, trifluoroalkyl, or alkyl substituted by hydroxy, alkoxy, amino, alkylamino, dialkylamino or cycloalkyl, and R.sub.5 represents hydrogen or a C.sub.1-4 alkyl group or R.sub.4 and R.sub.5 may, together with the nitrogen atom to which they are attached, form a 5 to 10 membered 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 selected from oxygen and sulphur; Alk represents a straight or branched alkylene chain of 1 to 6 carbon atoms; R.sub.3, which may be in either the 2 or 3-position, represents the group ##STR2## where X represents --CH.sub.2 --, --O-- or --S--; n represents zero, 1 or 2; m represents 2, 3 or 4; and where Y represents S, O, CHNO.sub.2 or NR.sub.7 where R.sub.7 is nitro, cyano, alkylsulphonyl or arylsulphonyl; R.sub.6 represents hydrogen, alkyl, alkenyl, alkynyl, alkoxyalkyl or aralkyl; with the provisos that where R.sub.2 represents the group R.sub.4 R.sub.5 NAlk then R.sub.3 is in the 2-position; and where R.sub.2 represents hydrogen then R.sub.3 is in the 3-position. The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -- antagonists.

  该发明提供了通式（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R.sub.1和R.sub.2中的一个表示氢、卤素或C.sub.1-4烷基，该烷基可以选择性地被羟基或C.sub.1-4烷氧基取代，另一个表示R.sub.4R.sub.5NAlk基团，其中R.sub.4表示氢、C.sub.1-10烷基、环烷基、烯基、炔基、芳基烷基、杂芳基烷基、三氟甲基或羟基、烷氧基、氨基、烷基氨基、二烷基氨基或环烷基取代的烷基，并且R.sub.5表示氢或C.sub.1-4烷基或R.sub.4和R.sub.5可以与它们连接的氮原子一起形成一个5到10成员环，该环可以饱和或含有至少一个双键，可以未取代或被一个或多个C.sub.1-3烷基取代或一个羟基和/或可以包含另一个从氧和硫选择的杂原子; Alk表示1到6个碳原子的直链或支链烷基链; R.sub.3可以在2或3位，表示##STR2## 其中X表示--CH.sub.2--，--O--或--S--；n表示零，1或2；m表示2，3或4；其中Y表示S，O，CHNO.sub.2或NR.sub.7，其中R.sub.7是硝基，氰基，烷基磺酰基或芳基磺酰基；R.sub.6表示氢、烷基、烯基、炔基、烷氧基烷基或芳基烷基；但是当R.sub.2表示R.sub.4R.sub.5NAlk基团时，R.sub.3在2位；当R.sub.2表示氢时，R.sub.3在3位。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。
• Substituted 3-cyclobutene-1,2-diones, pharmaceutical compositions
  申请人：Bristol-Myers Company

  公开号：US04503051A1

  公开（公告）日：1985-03-05

  Compounds of the formula ##STR1## wherein R.sup.12 is a leaving group, Z is S, O or CH.sub.2 and A is a phenyl, furyl, thienyl or pyridyl ring substituted by a ##STR2## moiety, in which R.sup.8 and R.sup.9 are various substituents or, when taken together with the nitrogen, may be a specified heterocyclic ring, are intermediates in the preparation of histamine H.sub.2 -antagonist anti-ulcer agents of the formula ##STR3## in which R.sup.1 and R.sup.2 are any of several specified substituents.

  化合物的公式为##STR1##其中R.sup.12是一个离去基团，Z是S，O或CH.sub.2，而A是一个被##STR2##基团取代的苯基，呋喃基，噻吩基或吡啶环，其中R.sup.8和R.sup.9是不同的取代基，或者与氮一起可以是一个特定的杂环环。这些化合物是制备组织胺H.sub.2-拮抗剂抗溃疡剂的中间体，该抗溃疡剂的公式为##STR3##其中R.sup.1和R.sup.2是几个指定的取代基之一。
• Pyridine derivatives of 1,2-diaminocyclobutene-3,4-diones
  申请人：Bristol-Myers Company

  公开号：US04539316A1

  公开（公告）日：1985-09-03

  Compounds of the formula ##STR1## wherein R.sup.12 is a leaving group, Z is S, O or CH.sub.2 and A is a phenyl, furyl, thienyl or pyridyl ring substituted by a ##STR2## moiety, in which R.sup.8 and R.sup.9 are various substituents or, when taken together with the nitrogen, may be a specified heterocyclic ring, are intermediates in the preparation of histamine H.sub.2 -antagonist anti-ulcer agents of the formula ##STR3## in which R.sup.1 and R.sup.2 are any of several specified substituents.

  式子为##STR1##的化合物，其中R.sup.12是一个离去基团，Z是S、O或CH.sub.2，A是一个苯环、呋喃环、噻吩环或吡啶环，被##STR2##取代，其中R.sup.8和R.sup.9是各种取代基或者与氮一起取代时可能是一个特定的杂环，是制备组织胺H.sub.2-拮抗剂抗溃疡剂##STR3##的中间体，其中R.sup.1和R.sup.2是指定的几种取代基之一。
• Substituted 1,2-diaminocyclobutene-3,4-diones
  申请人：Bristol-Myers Company

  公开号：US04546188A1

  公开（公告）日：1985-10-08

  Certain 1-(substituted amino)-2-(amino or substituted amino)cyclobutene-3,4-diones are potent histamine H.sub.2 -antagonists useful in the treatment of peptic ulcers.

  某些1-(取代氨基)-2-(氨基或取代氨基)环丁烷-3,4-二酮是有效的组胺H.sub.2受体拮抗剂，可用于治疗消化性溃疡。