3-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-one | 111038-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 3-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-one
• 英文别名: 3-chloro-1-(1,4-benzodioxan-6-yl)propan-1-one；3-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
• CAS: 111038-91-6
• 化学式: C₁₁H₁₁ClO₃
• mdl: MFCD11868925
• 分子量: 226.66
• InChiKey: NLQJAQIXEFYSKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-one 、 4-苯氨基-哌啶 以65.5%的产率得到3-(4-benzoylamino-piperidin-1-yl)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propan-1-one
  参考文献：
  名称：

  Benzamido piperidines

  摘要：

  本文描述了一组对心血管系统的疾病和紊乱治疗有用的杂环化合物。这些化合物是哌啶化合物，通过从单酮低烷基或羟基低烷基或式为##STR1##或--O--(低烷基)的双价基团中选择的中介物，将氮原子连接到亚甲二氧基苯基或乙二氧基苯基上。哌啶环进一步被苯甲酰基残基取代。

  公开号：

  US04045444A1

文献信息

• COMPOUNDS INHIBITING TDG ACTIVITY
  申请人：Epitas Biosciences (Shanghai) Co., Ltd.

  公开号：EP3971180A1

  公开（公告）日：2022-03-23

  The present invention provides a class of compounds inhibiting TDG activity. Specifically, the present invention provides a compound having a novel structure as shown in formula I. The small molecule inhibitor of the present invention has an excellent inhibitory effect on TDG.

  本发明提供了一类抑制TDG活性的化合物。具体来说，本发明提供了一种具有如公式I所示新结构的化合物。本发明的小分子抑制剂对TDG具有优异的抑制效果。
• Heterocyclic compounds
  申请人：John Wyeth & Brother Limited

  公开号：US03992389A1

  公开（公告）日：1976-11-16

  A group of heterocyclic compounds useful in the treatment of disorders and diseases of the cardiovascular system and/or in the treatment of superficial and deep allergic phenomena is described. These compounds are piperidine compounds linked by the nitrogen atom to a substituted or unsubstituted phenyl radical through the intermediary of a group selected from a lower-alkylene radical, a mono-keto lower alkylene radical or a hydroxy-lower-alkylene radical, or a bivalent radical of the formula ##EQU1## or --O--(lower-alkylene)-. The piperidine rings are further substituted by a benzamido, substituted benzamido or cyclohexylcarboxamido residue.

  描述了一组在治疗心血管系统疾病和过敏现象方面有用的杂环化合物。这些化合物是通过氮原子与一个取代或未取代苯基通过选择自低烷基基团、单酮基低烷基基团或羟基-低烷基基团、或者公式##EQU1##的双价基团或--O--(低烷基)-连接的哌啶化合物。哌啶环进一步取代为苯甲酰胺基、取代苯甲酰胺基或环己基羧酰胺基残基。
• Benzamido piperidines
  申请人：John Wyeth & Brother Limited

  公开号：US04045444A1

  公开（公告）日：1977-08-30

  A group of heterocyclic compounds useful in the treatment of disorders and diseases of the cardiovascular system is described. These compounds are piperidine compounds linked by the nitrogen atom to a methylenedioxyphenyl or an ethylenedioxyphenyl radical through the intermediary of a group selected from a mono-keto lower alkylene radical or a hydroxy-lower-alkylene radical or a bivalent radical of the formula ##STR1## or --O--(lower alkylene). The piperidine rings are further substituted by a benzamido residue.

  本文描述了一组对心血管系统的疾病和紊乱治疗有用的杂环化合物。这些化合物是哌啶化合物，通过从单酮低烷基或羟基低烷基或式为##STR1##或--O--(低烷基)的双价基团中选择的中介物，将氮原子连接到亚甲二氧基苯基或乙二氧基苯基上。哌啶环进一步被苯甲酰基残基取代。
• [EN] COMPOUNDS INHIBITING TDG ACTIVITY<br/>[FR] COMPOSÉS INHIBANT L'ACTIVITÉ DE TDG<br/>[ZH] 抑制TDG活性的化合物
  申请人：EPITAS BIOSCIENCES SHANGHAI CO LTD

  公开号：WO2020224396A1

  公开（公告）日：2020-11-12

  本发明提供了一类抑制TDG活性的化合物。具体地，本发明提供了一种如式I所示的具有新颖结构的化合物。本发明的小分子抑制剂对TDG具有优异的抑制作用。
• Pharmaceutical compositions and methods of treating hypertension
  申请人：John Wyeth & Brother Limited

  公开号：US04029801A1

  公开（公告）日：1977-06-14

  Pharmaceutical compositions containing a group of heterocyclic compounds and their use in treatment of disorders and diseases of the cardiovascular system and/or in the treatment of superficial and deep allergic phenomena is described. These compounds used in the composition and/or methods are piperidine compounds linked by the nitrogen atom to a substituted or unsubstituted cycloalkyl, aryl or heterocyclic radical through the intermediary of a group selected from a lower-alkylene radical, a monoketo lower-alkylene radical or a hydroxy-lower-alkylene radical, or a bivalent radical of the formula --NH.CO.(CH.sub.2).sub.n -- where n is 1, 2 or 3, ##STR1## or --0-(lower-alkylene)--. The piperidine ring is further substituted by an acylamino residue.

  本发明描述了含有杂环化合物组的药物组合物及其在治疗心血管系统疾病和/或治疗浅表和深层过敏现象中的应用。这些组合物和/或方法中使用的化合物是哌啶化合物，通过氮原子与取代或未取代的环烷基、芳基或杂环基团相连，中间通过一个选自低级烷叉基、单酮低级烷叉基或羟基低级烷叉基的基团，或一个二价基团，其公式为--NH.CO.(CH.sub.2).sub.n --，其中n为1、2或3，##STR1##或--O-(低级烷叉基)--。哌啶环进一步被酰胺基残基取代。