1-morpholino-2-(piperidin-4-yloxy)ethanone | 1000819-34-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1-morpholino-2-(piperidin-4-yloxy)ethanone
• 英文别名: 1-morpholin-4-yl-2-piperidin-4-yloxyethanone
• CAS: 1000819-34-0
• 化学式: C₁₁H₂₀N₂O₃
• mdl: MFCD11644290
• 分子量: 228.291
• InChiKey: IHSHZWBYCSPBDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2-(7-azabicyclo[2.2.1]hept-7-yl)-1,1-dimethyl-2-oxoethyl]-4-(2-chloroethyl)-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrole 、 1-morpholino-2-(piperidin-4-yloxy)ethanone 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(2-morpholino-2-oxoethoxy)piperidin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of thieno[2,3-b]pyrroles as antagonists of the GnRH receptor

  摘要：

  A new class of small-molecule GnRH antagonists, the thieno[2,3-b]pyrroles, was designed. Herein, the synthesis and structure-activity relationships are described. Substitution at the C4 position was investigated; during this study, it was observed that introducing piperazines and piperidines improved the physical properties of the compounds while retaining good in vitro potency. This exploration led to the discovery of amidopiperidines with improved pharmacokinetic properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.099
• 作为产物：
  描述：

  Tert-butyl 4-(2-morpholino-2-oxoethoxy)piperidine-1-carboxylate 在 盐酸 、 氨 作用下， 以 异丙醇 、 甲醇 为溶剂， 反应 2.0h， 以56.1%的产率得到1-morpholino-2-(piperidin-4-yloxy)ethanone
  参考文献：
  名称：

  PHTHALAZINONE DERIVATIVES

  摘要：

  其中： A和B一起代表一个可选取代的融合芳香环；X和Y分别从CH和CH、CF和CH、CH和CF以及N和CH中选择；RC从H、C1-4烷基中选择；R1从C1-7烷基、C3-20杂环烷基和C5-20芳基中选择，这些基团可选取代；或者RC和R1与它们连接的碳和氧原子一起形成一个可选取代或与C5-7芳香环融合的螺环C5-7含氧杂环基。

  公开号：

  US20090192156A1

文献信息

• Phthalazinone derivatives
  申请人：AstraZeneca AB

  公开号：US08129380B2

  公开（公告）日：2012-03-06

  A compound of the formula (I): wherein: A and B together represent an optionally substituted, fused aromatic ring; X and Y are selected from CH and CH, CF and CH, CH and CF and N and CH respectively; RC is selected from H, C1-4 alkyl; and R1 is selected from C1-7 alkyl, C3-20 heterocyclyl and C5-20 aryl, which groups are optionally substituted; or RC and R1 together with the carbon and oxygen atoms to which they are attached form a spiro-C5-7 oxygen-containing heterocyclic group, which is optionally substituted or fused to a C5-7 aromatic ring.

  化合物的式子（I）： 其中： A 和 B 一起代表一个可选取取代基的融合芳香环； X 和 Y 分别从 CH 和 CH、CF 和 CH、CH 和 CF 和 N 和 CH 中选择； RC 从 H、C1-4 烷基中选择； R1 从 C1-7 烷基、C3-20 杂环基和 C5-20 芳基中选择，这些基团可选取取代基；或者 RC 和 R1 与它们附着的碳和氧原子一起形成一个螺环-C5-7 含氧杂环基，该基团可选取取代基或融合到一个 C5-7 芳香环中。
• US8129380B2
  申请人：——

  公开号：US8129380B2

  公开（公告）日：2012-03-06
• [EN] PHTHALAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PHTALAZINONE
  申请人：ASTRAZENECA AB

  公开号：WO2009093032A1

  公开（公告）日：2009-07-30

  A compound of the formula (I): wherein: A and B together represent an optionally substituted, fused aromatic ring; X and Y are selected from CH and CH, CF and CH, CH and CF and N and CH respectively; Rc is selected from H, C1.4 alkyl; and R1 is selected from C1-7 alkyI, C3-20 heterocydyl and C5-20 aryl, which groups are optionally substituted; or Rc and R1 together with the carbon and oxygen atoms to which they are attached form a spiro-C5-7 oxygen-containing heterocyclic group, which is optionally substituted or fused to a C5-7 aromatic ring. These compounds are useful in the preparation of a medicament for inhibiting the activity of PARP for the treatment of : vascular disease; septic shock;ischaemic injury;neurotoxicity;haemorraghic shock;viral infection; or for use as an adjunct in cancer therapy or for potentiating tumour cells for treatment with ionizing radiation or chemotherapeutic agents.
• [EN] 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS<br/>[FR] COMPOSÉS 5-CHLORO -2-DIFLUOROMÉTHOXYPHÉNYL PYRAZOLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DE JAK
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015177326A1

  公开（公告）日：2015-11-26

  Compounds of Formula (00A) and methods of use as Janus kinase inhibitors are described herein. Claimed uses are the treatment of inflammation and asthma.