2,3-dihydro-1-heptyl-6-methyl-2-thioxo-4(1H)-pyrimidinone | 133078-39-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,3-dihydro-1-heptyl-6-methyl-2-thioxo-4(1H)-pyrimidinone
• 英文别名: 1-Heptyl-6-methyl-2-sulfanylidenepyrimidin-4-one
• CAS: 133078-39-4
• 化学式: C₁₂H₂₀N₂OS
• 分子量: 240.37
• InChiKey: CSAXFFNWFGKLPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  庚胺 、 6-methyl-4-oxo-2-thio-2,3-dihydro-4H-1,3-oxazine 以 二氯甲烷 、 溶剂黄146 为溶剂， 生成 2,3-dihydro-1-heptyl-6-methyl-2-thioxo-4(1H)-pyrimidinone
  参考文献：
  名称：

  Pyrimidine derivatives

  摘要：

  这项发明涉及式I的新型氨基嘧啶盐：其中R.sup.1是烷基，烯烃基，环烷基，苯基，苯基烷基或环烷基-烷基；R.sup.2和R.sup.6中的一个是从氨基，烷基氨基，最多含有八个碳原子的二烷基氨基，吡咯啉基，哌啶基和吗啉基中选择的一种碱性基团；而另一个是氢，烷基，烯烃基，烷氧基烷基，苯基，苯基烷基，环烷基或环烷基-烷基；或者R.sup.2和R.sup.6都是上述提到的碱性基团；R.sup.5是氢，（1-4C）烷基或（3-6C）烯烃基；或者R.sup.2是上述提到的碱性基团，而R.sup.5和R.sup.6一起形成亚烷基或者与嘧啶环的附加碳原子一起形成苯环；R.sup.4是氢，烷基，环烷基-烷基，烯烃基，炔烃基或苯基烷基；或者R.sup.4是可选取代的烷基或烯基与Q.A.N--基团的氮原子相连，这些连接基团可能形成包括Q的两个相邻碳原子，A的碳原子和--A.N--基团的相邻氮原子的环；A是直接连接到--N(R.sup.4)--基团的键或者是烷基或氧基烷基；Q是吡啶基，呋喃基，噻吩基或苯基基团；Y是生理上可接受的阴离子；但不包括下文中指定的一些化合物。该发明还包括某些紧密相关的无水碱衍生物，类似于式I化合物，对心血管系统具有有益效果（尤其是通过窦房结调节的有益效果）。还包括含有式I化合物（或相关的无水碱）作为活性成分的药物组合物，以及用于制造各种新型化合物的方法。

  公开号：

  US05223505A1

文献信息

• PYRIMIDINE DERIVATIVES
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0422178A1

  公开（公告）日：1991-04-17
• US5223505A
  申请人：——

  公开号：US5223505A

  公开（公告）日：1993-06-29
• [EN] PYRIMIDINE DERIVATIVES
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：WO1990012790A1

  公开（公告）日：1990-11-01

  (EN) This invention concerns novel aminopyrimidinium salts of the formula (I), in which R1 is alkyl, alkenyl, cycloalkyl, phenyl, phenylalkyl or cycloalkyl-alkyl; one of R2 and R6 is a basic group selected from amino, alkylamino, dialkylamino of up to eight carbon atoms, pyrrolidino, piperridino and morpholino; and the other of R2 and R6 is hydrogen, alkyl, alkenyl, alkoxyalkyl, phenyl, phenylalkyl, cycloalkyl or cycloalkyl-alkyl; or both of R2 and R6 are basic groups as mentioned above; and R5 is hydrogen, (1-4C)alkyl or (3-6C)alkyl; or R2 is a basic group as mentioned above, and R5 and R6 together form alkylene or, together with the appendant carbon atoms of the pyrimidine ring, complete a benzene ring; R4 is hydrogen, alkyl, cycloalkyl-alkyl, alkenyl, alkynyl or phenylalkyl; or R4 is an optionally substituted alkylene or alkenylene linked to the nitrogen atom of the groupe Q.A.N-, either of which linking groups may thereby complete a ring including two adjacent carbon atoms of Q, the carbon atoms of A and the adjacent nitrogen atom of the group -A.N-; A is a direct bond to the group -N(R4)- or is alkylene or oxyalkylene; Q is a pyridyl, furyl, thienyl or phenyl moiety; and Y is a physiologically acceptable anion; but excluding a number of compounds specified hereinafter. The invention also includes certain closely related anhydro-base derivatives which, like the formula (I) compounds, possess beneficial effects on the cardiovascular system (and in particular beneficial effects modulated via the sino-atrial node). Also included are pharmaceutical compositions containing the formula (I) compound (or a related anhydro-base) as active ingredient, and processes for the manufacture of the various novel compounds.(FR) L'invention concerne de nouveaux sels d'aminopyrimidinium de formule (I) dans laquelle R1 est alcoyle, alkényle, cycloalcoyle, phényle, phénylalcoyle ou cycloalcoyle-alcoyle; l'un de R2 et R6 est un groupe de base choisi parmi amino, alcoyleamino, dialcoyleamino de jusqu'à huit atomes de carbone, pyrrolidino, piperidino, et morpholino; et l'autre de R2 et R6 est hydrogène, alcoyle, alkényle, alkoxyalcoyle, phényle, phénylalcoyle, cycloalcoyle ou cycloalcoyle-alcoyle; ou les R2 et R6 sont les groupes basiques mentionnés ci-dessus; et R5 est hydrogène, (1-AC)alcoyle ou (3-6C) alkényle; ou R2 est un groupe basique mentionné ci-dessus, et R5 et R6 ensemble constituent l'alkylène ou, avec les atomes de carbone pendants d'un cycle pyramidine, complètent un cycle benzène; R4 est hydrogène, alcoyle, cycloalcoyle-alcoyle, aldényle, alkynyle ou phénoalcoyle; ou R4 est un alkylène ou alkénylène, substitué ou non, lié à l'atome azote du groupe Q.A.N-, chacun des groupes de liaison pouvant compléter un noyau comprenant deux atomes adjacents de carbone de Q, les atomes de carbone d'A et l'atome d'azote adjacent du groupe -A.N-; A est une liaison direct avec le groupe -N(R4)- ou est alkylène ou oxyalkylène; Q est une unité pyridyle, furyle, thiényle, ou phényle; et Y est un anion physiologiquement acceptable, mais ne comprenant pas un certain nombre de composés. L'invention comprend aussi des dérivés anhydro-base affines qui, de même que les composés de formule (I), possèdent des effets bénéfiques pour le système cardiovasculaire (et en particulier, des effets bénéfiques modulés par le n÷ud sino-auriculaire). Sont également comprises des compositions pharmaceutiques contenant le composé de formule (I) (ou un anhydrobase affine) en tant qu'ingrédient actif, et procédés pour la fabrication des divers composés nouveaux.
• Pyrimidine derivatives
  申请人：Imperial Chemical Industries Plc

  公开号：US05223505A1

  公开（公告）日：1993-06-29

  This invention concerns novel aminopyrimidinium salts of the formula I: ##STR1## in which R.sup.1 is alkyl, alkenyl, cycloalkyl, phenyl, phenylalkyl or cycloalkyl-alkyl; one of R.sup.2 and R.sup.6 is a basic group selected from amino, alkylamino, dialkylamino of up to eight carbon atoms, pyrrolidino, piperidino and morpholino; and the other of R.sup.2 and R.sup.6 is hydrogen, alkyl, alkenyl, alkoxyalkyl, phenyl, phenylalkyl, cycloalkyl or cycloalkyl-alkyl; or both of R.sup.2 and R.sup.6 are basic groups as mentioned above; and R.sup.5 is hydrogen, (1-4C)alkyl or (3-6C)alkenyl; or R.sup.2 is a basic group as mentioned above, and R.sup.5 and R.sup.6 together form alkylene or, together with the appendant carbon atoms of the pyrimidine ring, complete a benzene ring; R.sup.4 is hydrogen, alkyl, cycloalkyl-alkyl, alkenyl, alkynyl or phenylalkyl; or R.sup.4 is an optionally substitutued alkylene or alkenylene linked to the nitrogen atom of the group Q.A.N--, either of which linking groups may thereby completing a ring including two adjacent carbon atoms of Q, the carbon atoms of A and the adjacent nitrogen atom of the group --A.N--; A is a direct bond to the the group --N(R.sup.4)-- or is alkylene or oxyalkylene; Q is a pyridyl, furyl, thienyl or phenyl moiety; and Y is a physiologically acceptable anion; but excluding a number of compounds specified hereinafter. The invention also includes certain closely related anhydro-base derivatives which, like the formula I compounds, possess beneficial effects on the cardiovascular system (and in particular beneficial effects modulated via the sino-atrial node). Also included are pharmaceutical compositions containing the formula I compound (or a related anhydro-base) as active ingredient, and processes for the manufacture of the various novel compounds.

  这项发明涉及式I的新型氨基嘧啶盐：其中R.sup.1是烷基，烯烃基，环烷基，苯基，苯基烷基或环烷基-烷基；R.sup.2和R.sup.6中的一个是从氨基，烷基氨基，最多含有八个碳原子的二烷基氨基，吡咯啉基，哌啶基和吗啉基中选择的一种碱性基团；而另一个是氢，烷基，烯烃基，烷氧基烷基，苯基，苯基烷基，环烷基或环烷基-烷基；或者R.sup.2和R.sup.6都是上述提到的碱性基团；R.sup.5是氢，（1-4C）烷基或（3-6C）烯烃基；或者R.sup.2是上述提到的碱性基团，而R.sup.5和R.sup.6一起形成亚烷基或者与嘧啶环的附加碳原子一起形成苯环；R.sup.4是氢，烷基，环烷基-烷基，烯烃基，炔烃基或苯基烷基；或者R.sup.4是可选取代的烷基或烯基与Q.A.N--基团的氮原子相连，这些连接基团可能形成包括Q的两个相邻碳原子，A的碳原子和--A.N--基团的相邻氮原子的环；A是直接连接到--N(R.sup.4)--基团的键或者是烷基或氧基烷基；Q是吡啶基，呋喃基，噻吩基或苯基基团；Y是生理上可接受的阴离子；但不包括下文中指定的一些化合物。该发明还包括某些紧密相关的无水碱衍生物，类似于式I化合物，对心血管系统具有有益效果（尤其是通过窦房结调节的有益效果）。还包括含有式I化合物（或相关的无水碱）作为活性成分的药物组合物，以及用于制造各种新型化合物的方法。