2-氨基氧基-1-吗啉-4-基-乙酮 | 112257-28-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 2-氨基氧基-1-吗啉-4-基-乙酮
• 英文名称: 2-(aminooxy)-1-morpholinoethanone
• 英文别名: 2-Aminooxy-1-morpholin-4-ylethanone
• CAS: 112257-28-0
• 化学式: C₆H₁₂N₂O₃
• 分子量: 160.173
• InChiKey: FYWQKEYLUJEPRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(6-amino-5-formyl-pyrimidin-4-yl)-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide 、 2-氨基氧基-1-吗啉-4-基-乙酮 以 甲醇 为溶剂， 生成 4-(6-amino-5-[(2-morpholin-4-yl-2-oxo-ethoxyimino)-methyl]-pyrimidin-4-yl)-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)amide
  参考文献：
  名称：

  4-Amino-6-piperazin-1-yl-pyrimidine-5-carbaldehyde oximes as potent FLT-3 inhibitors

  摘要：

  A series of 4-amino-6-piperazin- I -yl-pyrimi dine- 5-carbaldehyde oximes has been discovered and developed as potent FLT3 tyrosine kinase inhibitors. The series exhibited potent antiproliferative activity against both an FLT3 ITD-mutated human leukemic cell line as well as a wild-type FLT3 BaF3 expressed cell line. The structure-activity relationship of this class of compounds is described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.046
• 作为产物：
  描述：

  2-氯-1-吗琳乙-1-酮 在 盐酸 、 氢氧化钾 作用下， 生成 2-氨基氧基-1-吗啉-4-基-乙酮
  参考文献：
  名称：

  4-Amino-6-piperazin-1-yl-pyrimidine-5-carbaldehyde oximes as potent FLT-3 inhibitors

  摘要：

  A series of 4-amino-6-piperazin- I -yl-pyrimi dine- 5-carbaldehyde oximes has been discovered and developed as potent FLT3 tyrosine kinase inhibitors. The series exhibited potent antiproliferative activity against both an FLT3 ITD-mutated human leukemic cell line as well as a wild-type FLT3 BaF3 expressed cell line. The structure-activity relationship of this class of compounds is described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.046

文献信息

• Synthesis of anthelmintically activeN-methylated amidoxime analogues of the cyclic octadepsipeptide PF1022A
  作者：Peter Jeschke、Achim Harder、Georg von Samson-Himmelstjerna、Winfried Etzel、Wolfgang Gau、Gerhard Thielking、Gerhard Bonse

  DOI：10.1002/ps.590

  日期：2002.12

  product PF1022A. In particular an improved efficacy against Haemonchus contortus Rudolphi and Trichostrongylus colubriformis Giles in sheep compared to the potent cyclic octadepsipeptide PF1022A and its mono-thionated derivative has been observed. Here we report on a specific modification at the N-methyl amide linkage by using the mono-thionated PF1022A, resulting in novel anthelmintically active backbone

  环状十八肽PF1022A的N-甲基化a胺肟类似物代表新型衍生物，具有体外抗旋毛虫欧文和巴西柔毛夜蛾活性，并具有抗小鼠和绵羊寄生线虫的活性。与天然产物PF1022A相比，它们中的一些在小鼠中表现出更好的抗Hymenolepis nana Siebold，Spterosa Schneider和Heligmosomoides polygyrus Dujardin活性。尤其是，与强效的环八肽肽PF1022A及其单亚硫代衍生物相比，已观察到对绵羊的弯曲变形金丝猴（Ruemonphi Rutorphi）和毛细线虫（Trichostrongylus colubriformis Giles）有改善的功效。在这里，我们报告了通过使用单亚硫代PF1022A在N-甲基酰胺键处的特定修饰，从而产生了PF 1022A的新型具有抗炎活性的骨架类似物。
• NOVEL BETA-LACTAMASE INHIBITOR AND PROCESS FOR PREPARING THE SAME
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20150141401A1

  公开（公告）日：2015-05-21

  A diazabicyclooctane compound, which is a beta-lactame inhibitor, represented by the following formula (I): wherein A represents Ra(Rb)N— or RcO—; B represents NH or NC 1-6 alkyl; C represents benzyl, H or SO 3 M, wherein M represents H, an inorganic or an organic cation; Ra and Rb represent H, C 1-6 alkyl or acyl; Rc represents C 1-6 alkyl or a heterocyclyl; A is unsubstituted or substituted with 0 to 4 substituents Fn1, wherein Fn1 represents C 1-6 alkyl, O═, or Rg-(CH 2 ) 0-3 —, wherein Rg represents a heterocyclyl, phenyl, heteroaryl, acyl, RdO 2 S—, Re(Rf)N—, Re(Rf)NCO—, ReO—, ReOCO— or a protective group, wherein Rd represents C 1-6 alkyl or MO—; Re and Rf represent H or C 1-6 alkyl, and a heterocycle having at least one nitrogen atom may be formed between Ra and Rb, between Rc and B, or between Re and Rf.

  这是一种二氮杂双环辛烷化合物，是一种β-内酰胺酶抑制剂，化学式为(I)，其中A代表Ra(Rb)N—或RcO—；B代表NH或NC1-6烷基；C代表苄基、氢或SO3M，其中M代表氢、无机或有机阳离子；Ra和Rb代表氢、C1-6烷基或酰基；Rc代表C1-6烷基或杂环基；A未被取代或被0至4个取代基Fn1取代，其中Fn1代表C1-6烷基、O═或Rg-(CH2)0-3—，其中Rg代表杂环基、苯基、杂环芳基、酰基、RdO2S—、Re(Rf)N—、Re(Rf)NCO—、ReO—、ReOCO—或保护基，其中Rd代表C1-6烷基或MO—；Re和Rf代表氢或C1-6烷基，Ra和Rb之间、Rc和B之间或Re和Rf之间可以形成至少一个含有氮原子的杂环。
• BETA-LACTAMASE INHIBITOR AND PROCESS FOR PREPARING THE SAME
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20160024090A1

  公开（公告）日：2016-01-28

  A diazabicyclooctane compound, which is a beta-lactame inhibitor, represented by the following formula (I): wherein A represents Ra(Rb)N— or RcO—; B represents NH or NC 1-6 alkyl; C represents benzyl, H or SO 3 M, wherein M represents H, an inorganic or an organic cation; Ra and Rb represent H, C 1-6 alkyl or acyl; Rc represents C 1-6 alkyl or a heterocyclyl; A is unsubstituted or substituted with 0 to 4 substituents Fn1, wherein Fn1 represents C 1-6 alkyl, O═, or Rg-(CH 2 ) 0-3 —, wherein Rg represents a heterocyclyl, phenyl, heteroaryl, acyl, RdO 2 S—, Re(Rf)N—, Re(Rf)NCO—, ReO—, ReOCO— or a protective group, wherein Rd represents C 1-6 alkyl or MO—; Re and Rf represent H or C 1-6 alkyl, and a heterocycle having at least one nitrogen atom may be formed between Ra and Rb, between Rc and B, or between Re and Rf.

  一种二氮杂双环辛烷化合物，其为β-内酰胺酶抑制剂，由以下式子（I）表示：其中，A代表Ra（Rb）N-或RcO-；B代表NH或NC1-6烷基；C代表苄基、H或SO3M，其中M代表H、无机或有机阳离子；Ra和Rb代表H、C1-6烷基或酰基；Rc代表C1-6烷基或杂环基；A未被取代或被0至4个Fn1取代，其中Fn1代表C1-6烷基、O═或Rg-(CH2)0-3-，其中Rg代表杂环基、苯基、杂环芳基、酰基、RdO2S-、Re(Rf)N-、Re(Rf)NCO-、ReO-、ReOCO-或保护基，其中Rd代表C1-6烷基或MO-；Re和Rf代表H或C1-6烷基，Ra和Rb之间、Rc和B之间或Re和Rf之间可以形成至少一个含有氮原子的杂环。
• Beta-lactamase inhibitor and process for preparing the same
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US10023573B2

  公开（公告）日：2018-07-17

  A process for preparing a diazabicyclooctane compound represented by the following formula (I): wherein A represents RcO—; B represents NH or NC1-6 alkyl; C represents a benzyl group; Rc represents a C1-6 alkyl group; A is substituted with one substituent Fn1, wherein Fn1 represents an azetidine group; the process including: (a) silylating the compound represented by the following formula (IV-c): wherein in the formula (IV-c), OBn represents benzyloxy, and (b) carrying out an intramolecular urea formation reaction.

  一种制备下式(I)所代表的重氮双环辛烷化合物的工艺： 其中A代表RcO-；B代表NH或NC1-6烷基；C代表苄基；Rc代表C1-6烷基；A被一个取代基Fn1取代，其中Fn1代表氮杂环丁烷基团；该工艺包括：(a)将下式(IV-c)代表的化合物硅烷化： 其中，在式 (IV-c) 中，OBn 代表苄氧基，以及 (b) 进行分子内脲形成反应。
• Processes for preparing a diazabicyclooctane compound
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US10556905B2

  公开（公告）日：2020-02-11

  A process for preparing a diazabicyclooctane compound represented by the following formula (I): wherein A represents RcO—; B represents NH or NC1-6 alkyl; C represents a benzyl group; Rc represents a C1-6 alkyl group; A is substituted with one substituent Fn1, wherein Fn1 represents an azetidine group; the process including: (a) silylating the compound represented by the following formula (IV-c): wherein in the formula (IV-c), OBn represents benzyloxy, and (b) carrying out an intramolecular urea formation reaction.

  一种制备下式(I)所代表的重氮双环辛烷化合物的工艺： 其中A代表RcO-；B代表NH或NC1-6烷基；C代表苄基；Rc代表C1-6烷基；A被一个取代基Fn1取代，其中Fn1代表氮杂环丁烷基团；该工艺包括：(a)将下式(IV-c)代表的化合物硅烷化： 其中，在式 (IV-c) 中，OBn 代表苄氧基，以及 (b) 进行分子内脲形成反应。