3-乙基-哌嗪-2-酮 | 90485-52-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-乙基-哌嗪-2-酮
• 中文别名: 3-乙基哌嗪-2-酮1H2O；3-乙基哌嗪-2-酮；3-乙基哌嗪-2-酮 1H2O
• 英文名称: 6-ethyl-2,5-diazacyclohexanone
• 英文别名: 3-Ethyl-2-oxopiperazin；3-Ethyl-2-piperazinon；3-ethyl-piperazin-2-one；3-Aethyl-piperazin-2-on；3-ethylpiperazin-2-one
• CAS: 90485-52-2
• 化学式: C₆H₁₂N₂O
• 分子量: 128.174
• InChiKey: BAOOEQIOVFBREJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为产物：
  描述：

  乙二胺 、 2-溴丁酸乙酯 在 乙醇 作用下， 生成 3-乙基-哌嗪-2-酮
  参考文献：
  名称：

  A Synthesis of Monoketopiperazines

  摘要：

  DOI：

  10.1021/ja01862a061

文献信息

• HETEROCYCLIC COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20090023713A1

  公开（公告）日：2009-01-22

  The invention is concerned with novel heterocyclyl compounds of formula (I) wherein A, X, Y, R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , m and n are as herein defined, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  这项发明涉及公式（I）中的新型杂环化合物，其中A、X、Y、R3、R4、R5、R6、R7、R8、R9、R10、m和n如本文所定义，以及其生理学上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可用作药物。
• Novel Synthesis of α-Amino Carboxamides and Their Related Compounds via α-Oxo Sulfones Starting from 2,2-Disulfonyloxiranes
  作者：Shoji Matsumoto、Michiko Ishii、Kazuto Kimura、Katsuyuki Ogura

  DOI：10.1246/bcsj.77.1897

  日期：2004.10

  2-(Methylsulfonyl)-2-(p-tolylsulfonyl)oxiranes 1 are easily prepared by the condensation of methylthiomethyl p-tolyl sulfone (MT-sulfone) with aldehydes and the subsequent oxidation with MCPBA. They smoothly reacted with 2 molar amounts of primary or secondary amines to give α-amino carboxamides in high yield. This reaction can be suitably extended to the reaction with one molar amount of 1,n-diaminoalkanes (n = 2, 3, or 4) to form the corresponding 2,5-diazacyclohexanone, 2,6-diazacycloheptanone, or 2,7-diazacyclooctanone, respectively. The reaction of 1 with some related compounds having two nucleophilic sites are also described.

  2-(甲基磺酰)-2-(对甲苯磺酰)环氧化物1可通过甲基硫氢甲基对甲苯磺酸盐（MT-磺酸盐）与醛的缩合反应轻松制备，随后用MCPBA氧化。它们与2摩尔量的初级或次级胺平稳反应，生成α-氨基羧酰胺，产率高。该反应可以适当地扩展至与1,n-二氨烷（n = 2, 3或4）1摩尔量的反应，分别形成相应的2,5-二氮环己酮、2,6-二氮环庚酮或2,7-二氮环辛酮。此外，还描述了与一些具有两个亲核位点的相关化合物的反应。
• [EN] USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI<br/>[FR] UTILISATION D'OXADIAZOLES SUBSTITUÉS POUR LUTTER CONTRE DES FONGUS PHYTOPATHOGÈNES
  申请人：BASF SE

  公开号：WO2015185485A1

  公开（公告）日：2015-12-10

  The present invention relates to the use of novel oxadiazoles of the formula I or an N- oxide and/or their agriculturally useful salts for controlling phytopathogenic fungi, or to a method for combating phytopathogenic harmful fungi, which process comprises treating the fungi or the materials, plants, the soil or seeds to be protected against fungal attack, with an effective amount of at least one compound of formula I or an N- oxide or an agriculturally acceptable salt thereof; and to agrochemical compositions comprising at least one such compound and to agrochemical compositions further comprising seeds.

  本发明涉及使用式I的新颖噁二唑或其N-氧化物和/或其对植物病原真菌具有农业用途的盐来控制植物病原真菌，或者涉及用一种式I化合物或其N-氧化物或其农业上可接受的盐的有效量来对抗植物病原有害真菌的方法，该方法包括用至少一种式I化合物或其N-氧化物或其农业上可接受的盐的有效量处理真菌或需要受到真菌侵害保护的材料、植物、土壤或种子；以及包含至少一种这样的化合物的农药组合物，以及进一步包含种子的农药组合物。
• Urea inhibitors of MAP kinases
  申请人：Michelotti Luis Enrique

  公开号：US20060167247A1

  公开（公告）日：2006-07-27

  The present invention is directed to a compound having the formula wherein R 1 , R 2 , G, and Q are defined herein. The compounds of the present invention are useful as inhibitors of protein kinases such as MAP kinases, in particular p38 kinases. The present invention is also directed to compositions comprising a compound according to the above formula. The compounds and compositions described herein are useful for treating and preventing an inflammatory condition or disease. The present invention is also directed to a method of treating or preventing a protein kinase-mediated condition.

  本发明涉及一种化合物，其具有以下式子：其中R1、R2、G和Q在此处定义。本发明的化合物可用作蛋白激酶的抑制剂，例如MAP激酶，特别是p38激酶。本发明还涉及包含上述式子化合物的组合物。本发明所描述的化合物和组合物可用于治疗和预防炎症状况或疾病。本发明还涉及一种治疗或预防蛋白激酶介导病症的方法。
• NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF
  申请人：Chaki Hisaaki

  公开号：US20090118169A1

  公开（公告）日：2009-05-07

  A compound comprising the atom corresponding to N 3 and the two or more atoms selected from N 1 , N 2 , N 4 and N 5 , said atoms constitute the pharmacophore represented by the following formula: wherein N 1 represents an atom to which a donative hydrogen atom in a hydrogen-bond donating group is bonded or a hydrogen-bond accepting atom in a hydrogen-bond accepting group; N 3 represents a hydrogen-bond accepting atom in a hydrogen-bond accepting group; and N 2 , N 4 and N 5 independently represents an arbitrary carbon atom constituting a hydrophobic group and defined by the interatomic distances between N 1 , N 2 , N 3 , N 4 and N 5 ; and, in the optimized three-dimensional structure thereof, the distances between the atom corresponding to N 3 and the two or more atoms selected from N 1 , N 2 , N 4 and N 5 , in the optimized steric structure thereof, are the interatomic distances in a pharmacophore; or a salt thereof; inhibits the activity of transcription factor AP-1 and is useful as an agent for preventing and treating the diseases into which overexpression of AP-1 participates and as an AP-1 inhibitor.

  该化合物由与N3对应的原子和从N1、N2、N4和N5中选择的两个或更多原子组成，这些原子构成了以下公式所代表的药效团：其中，N1代表氢键供体基团中的给氢原子所结合的原子或氢键受体基团中的接受氢原子的原子；N3代表氢键受体基团中的接受氢原子的原子；N2、N4和N5分别独立地表示构成疏水基团的任意碳原子，并由N1、N2、N3、N4和N5之间的原子间距离定义；在其优化的三维结构中，N3对应的原子与从N1、N2、N4和N5中选择的两个或更多原子之间的距离，在其优化的立体结构中，是药效团中的原子间距离；或其盐；抑制转录因子AP-1的活性，并且作为预防和治疗过度表达AP-1参与的疾病和AP-1抑制剂的制剂是有用的。