5-Hydroxy-4,5-diphenyl-2-sulfanylidene-2,5-dihydro-1H-pyrrole-3-carbonitrile | 88709-40-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 5-Hydroxy-4,5-diphenyl-2-sulfanylidene-2,5-dihydro-1H-pyrrole-3-carbonitrile
• 英文别名: 5-hydroxy-4,5-diphenyl-2-sulfanylidene-1H-pyrrole-3-carbonitrile
• CAS: 88709-40-4
• 化学式: C₁₇H₁₂N₂OS
• 分子量: 292.4
• InChiKey: JYFRWYBVIOEOIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  88.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Hydroxy-4,5-diphenyl-2-sulfanylidene-2,5-dihydro-1H-pyrrole-3-carbonitrile 生成 4,4-diphenyl-2-isopropylthio-5-oxo-2-pyrroline-3-carbonitrile
  参考文献：
  名称：

  BARTH, H.;FRITSCHI, E.;GANSER, V.;HARTENSTEIN, J.;HERRMANN, M.;SATZINGER,+

  摘要：

  DOI：
• 作为产物：
  描述：

  联苯甲酰 、 2-氰基硫代乙酰胺 生成 5-Hydroxy-4,5-diphenyl-2-sulfanylidene-2,5-dihydro-1H-pyrrole-3-carbonitrile
  参考文献：
  名称：

  BARTH, H.;FRITSCHI, E.;GANSER, V.;HARTENSTEIN, J.;HERRMANN, M.;SATZINGER,+

  摘要：

  DOI：

文献信息

• 2-Pyrrolin-3-carbonitrile derivatives, and pharmaceutical compositions
  申请人：Warner-Lambert Company

  公开号：US04517185A1

  公开（公告）日：1985-05-14

  The present invention provides compounds of the general formula I ##STR1## wherein R.sup.1 and R.sup.2, which are the same or different, are unsubstituted or substituted aromatic rings, Alk is a straight-chained or branched lower hydrocarbon chain and Z is a hydrogen atom, with the proviso that when Alk is a straight-chained hydrocarbon chain, Z can also be a lower alkylamino radical of the general formula II ##STR2## in which R.sup.3 and R.sup.4 are the same or different and are hydrogen atoms or straight-chained or branched lower alkyl radicals or R.sup.3 and R.sup.4, together with the nitrogen atom to which they are attached, can also form a ring optionally containing further hetero atoms; and the pharmacologically acceptable salts thereof. The present invention also provides an inventive process for preparing these compounds, as well as pharmaceutical compositions containing them. The compounds I may be used in the therapy of inflammations and they are free of gastrointestinal side effects.

  本发明提供了一般式I的化合物，其中R.sup.1和R.sup.2，相同或不同，是未取代或取代的芳香环，Alk是直链或支链低碳氢链，Z是氢原子，但当Alk是直链碳氢链时，Z也可以是一般式II的低烷基氨基基团，其中R.sup.3和R.sup.4相同或不同，是氢原子或直链或支链低烷基基团，或者R.sup.3和R.sup.4与它们所连接的氮原子一起也可以形成一个环，可选地含有进一步的杂原子；以及其药学上可接受的盐。本发明还提供了一种创新的制备这些化合物的方法，以及包含它们的药物组成物。化合物I可用于治疗炎症，且无胃肠道副作用。
• 2-pyrrolin-3-carbonitril-derivatives, pharmaceutical compositions
  申请人：Warner-Lambert Company

  公开号：US04598076A1

  公开（公告）日：1986-07-01

  The present invention provides compounds of the general formula I ##STR1## wherein R.sup.1 and R.sup.2, which are the same or different, are unsubstituted or substituted aromatic rings, Alk is a straight-chained or branched lower hydrocarbon chain and Z is a hydrogen atom, with the proviso that when Alk is a straight-chained hydrocarbon chain, Z can also be a lower alkylamino radical of the general formula II ##STR2## in which R.sup.3 and R.sup.4 are the same or different and are hydrogen atoms or straight-chained or branched lower alkyl radicals or R.sup.3 and R.sup.4, together with the nitrogen atom to which they are attached, can also form a ring optionally containing further hetero atoms; and the pharmacologically acceptable salts thereof. The present invention also provides an inventive process for preparing these compounds, as well as pharmaceutical compositions containing them. The compounds I may be used in the therapy of inflammations and they are free of gastrointestinal side effects.

  本发明提供了一般式I的化合物：##STR1## 其中R.sup.1和R.sup.2相同或不同，是未取代或取代的芳香环，Alk是直链或支链低碳氢链，Z是氢原子，但当Alk是直链碳氢链时，Z也可以是一般式II的低烷基氨基基：##STR2## 在此式中，R.sup.3和R.sup.4相同或不同，是氢原子或直链或支链低烷基基团，或者R.sup.3和R.sup.4连同它们所连接的氮原子也可以形成一个环，该环还可以包含其他杂原子；以及其药学上可接受的盐。本发明还提供了制备这些化合物的创新工艺，以及含有它们的制药组合物。化合物I可用于炎症治疗，且没有胃肠道副作用。
• BARTH, H.;FRITSCHI, E.;GANSER, V.;HARTENSTEIN, J.;HERRMANN, M.;SATZINGER,+
  作者：BARTH, H.、FRITSCHI, E.、GANSER, V.、HARTENSTEIN, J.、HERRMANN, M.、SATZINGER,+

  DOI：——

  日期：——
• 2-Pyrrolin-3-carbonitril-Derivate, Verfahren zu deren Herstellung und diese enthaltende Arzneimittel
  申请人：GÖDECKE AKTIENGESELLSCHAFT

  公开号：EP0091045B1

  公开（公告）日：1986-02-26
• US4517185A
  申请人：——

  公开号：US4517185A

  公开（公告）日：1985-05-14