4-pyrazin-2-yl-butyric acid ethyl ester | 671212-30-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-pyrazin-2-yl-butyric acid ethyl ester
• 英文别名: Ethyl 4-(pyrazin-2-yl)butanoate；ethyl 4-pyrazin-2-ylbutanoate
• CAS: 671212-30-9
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: LJIVUZQHKIASFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  294.2±30.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-pyrazin-2-yl-butyric acid ethyl ester 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 20.0 ℃ 、413.68 kPa 条件下， 反应 84.0h， 生成
  参考文献：
  名称：

  Structure–activity relationship studies on unifiram (DM232) and sunifiram (DM235), two novel and potent cognition enhancing drugs

  摘要：

  Structure-activity relationships on two novel potent cognition enhancing drugs, unifiram (DM232, 1) and sunifiram (DM235, 2), are reported. Although none of the compounds synthesised reached the potency of the parent drugs, some fairly active compounds have been identified that may represent new leads to develop other cognition enhancing drugs. An interesting result of this research is the identification of two compounds (13 and 14) that are endowed with amnesing activity (the opposite of the activity of the original molecules) and are nearly equipotent to scopolamine. Moreover, two compounds of the series (5 and 6) were found endowed with analgesic activity on a rat model of neuropathic pain at the dose of 1 mg/kg. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.025
• 作为产物：
  描述：

  2-甲基吡嗪 、 3-溴丙酸乙酯 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.25h， 以33%的产率得到4-pyrazin-2-yl-butyric acid ethyl ester
  参考文献：
  名称：

  Nitrogen-containing bicyclic compounds active on chronic pain conditions

  摘要：

  公开号：

  EP2098526B1

文献信息

• Substituted pyrrolo[1,2-A] pyrazines, compositions containing these, processes of making these, and uses thereof
  申请人：Neurotune AG

  公开号：US08334286B2

  公开（公告）日：2012-12-18

  The invention refers to compounds of general formula (I) wherein the R groups are, independently, H, C1-6alkyl, aryl, CF3; Y is CH2, C═O; X is bond, C═O, SO2, or C═N—CN; m is 0, 1; n is 0, 1; A is a heterocycle, or a phenyl group optionally substituted as defined in the specification. The compounds are active on chronic pain conditions of different origin; they can be administered alone or with other drugs. Most of these compounds are new. The invention include a process to prepare said compounds, and pharmaceutical compositions suitable for their administration to a patient.

  本发明涉及一般式（I）的化合物，其中R基团是独立的H，C1-6烷基，芳基，CF3; Y是CH2，C═O; X是键，C═O，SO2或C═N—CN; m为0，1; n为0，1; A是杂环或苯基，可选地在规范中定义的取代基。这些化合物对不同来源的慢性疼痛病症具有活性；它们可以单独或与其他药物一起使用。大多数这些化合物都是新的。本发明包括制备所述化合物的方法，以及适合于向患者施用的制药组合物。
• NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS
  申请人：Ghelardini Carla

  公开号：US20110015200A1

  公开（公告）日：2011-01-20

  The invention refers to compounds of general formula (I) wherein the R groups are, independently, H, C 1-6 alkyl, aryl, CF 3 ; Y is CH 2 , C═O; X is bond, C═O, SO 2 , or C═N—CN; m is 0, 1; n is 0, 1; A is a heterocycle, or a phenyl group optionally substituted as defined in the specification. The compounds are active on chronic pain conditions of different origin; they can be administered alone or with other drugs. Most of these compounds are new. The invention include a process to prepare said compounds, and pharmaceutical compositions suitable for their administration to a patient.

  该发明涉及一般式（I）的化合物，其中R基独立地为H，C1-6烷基，芳基，CF3；Y为CH2，C═O；X为键，C═O，SO2或C═N—CN；m为0，1；n为0，1；A为杂环或苯基，可选地取代如说明书所定义。这些化合物对不同起源的慢性疼痛症状具有活性，它们可以单独或与其他药物一起使用。其中大多数化合物都是新的。该发明包括一种制备上述化合物的方法以及适用于其向患者的管理的制药组合物。
• Mechanical Activation of Zero-Valent Metal Reductants for Nickel-Catalyzed Cross-Electrophile Coupling
  作者：Andrew C. Jones、Matthew T. J. Williams、Louis C. Morrill、Duncan L. Browne

  DOI：10.1021/acscatal.2c03117

  日期：2022.11.4

  either twisted-amides or heteroaryl halides with alkyl halides, enabled by ball-milling, is herein described. The operationally simple nickel-catalyzed process has no requirement for inert atmosphere or dry solvents and delivers the corresponding acylated or heteroarylated products across a broad range of substrates. Key to negating the necessity of inert reaction conditions is the mechanical activation

  本文描述了通过球磨实现的扭曲酰胺或杂芳基卤化物与烷基卤化物的交叉亲电子偶联。操作简单的镍催化工艺不需要惰性气氛或干燥溶剂，并且可以在各种基材上提供相应的酰化或杂芳基化产物。消除惰性反应条件必要性的关键是原料金属末端还原剂的机械活化：对于扭曲酰胺来说是锰，对于杂芳基卤化物来说是锌。
• US8334286B2
  申请人：——

  公开号：US8334286B2

  公开（公告）日：2012-12-18
• [EN] NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS<br/>[FR] COMPOSÉS BICYCLIQUES CONTENANT DE L'AZOTE AGISSANT SUR LES ÉTATS DE DOULEUR CHRONIQUE
  申请人：NEUROTUNE AG

  公开号：WO2009103176A1

  公开（公告）日：2009-08-27

  The invention refers to compounds of general formula (I) wherein the R groups are, independently, H, C1-6alkyl, aryl, CF3; Y is CH2, C=O; X is bond, C=O, SO2, or C=N-CN; m is 0, 1; n is 0, 1; A is a heterocycle, or a phenyl group optionally substituted as defined in the specification. The compounds are active on chronic pain conditions of different origin; they can be administered alone or with other drugs. Most of these compounds are new. The invention include a process to prepare said compounds, and pharmaceutical compositions suitable for their administration to a patient.