正戊基吡嗪 | 6303-75-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 正戊基吡嗪
• 中文别名: 2-正戊基吡嗪
• 英文名称: 2-pentylpyrazine
• 英文别名: n-pentylpyrazine；pentyl-pyrazine；2-Pentyl-pyrazin；Pentylpyrazine
• CAS: 6303-75-9
• 化学式: C₉H₁₄N₂
• mdl: MFCD00014614
• 分子量: 150.224
• InChiKey: KNDDHUQSPNJCKY-UHFFFAOYSA-N

物化性质

• 沸点：
  94-96°C 11mm
• 密度：
  0.95
• 闪点：
  94-96°C/11mm
• 溶解度：
  DMSO（微溶）、己醛（微溶）
• 保留指数：
  1194;1192;1192
• 稳定性/保质期：
  常温常压下，这是一种稳定且无色的液体。

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933990090
• 储存条件：
  请将药品存放在避光、阴凉干燥的地方，并密封保存。

反应信息

• 作为反应物：
  描述：

  正戊基吡嗪 在 氢溴酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 4-(7-丁基-5H-吡咯并[2,3-b]吡嗪-6-基)苯酚
  参考文献：
  名称：

  Aloisines, a New Family of CDK/GSK-3 Inhibitors. SAR Study, Crystal Structure in Complex with CDK2, Enzyme Selectivity, and Cellular Effects

  摘要：

  Cyclin-dependent kinases (CDKs) regulate the cell cycle, apoptosis, neuronal functions, transcription, and exocytosis. The observation of CDK deregulations in various pathological situations suggests that CDK inhibitors may have a therapeutic value. In this article, we report on the identification of 6-phenyl[5H]pyrrolo[2,3-b]pyrazines (aloisines) as a novel potent CDK inhibitory scaffold. A selectivity study performed on 26 kinases shows that aloisine A is highly selective for CDK1/cyclin B, CDK2/cyclin A-E, CDK5/p25, and GSK-3alpha/beta; the two latter enzymes have been implicated in Alzheimer's disease. Kinetic studies, as well as the resolution of a CDK2-aloisine cocrystal structure, demonstrate that aloisines act by competitive inhibition of ATP binding to the catalytic subunit of the kinase. As observed with all inhibitors reported so far, aloisine interacts with the ATP-binding pocket through two hydrogen bonds with backbone nitrogen and oxygen atoms of Leu 83. Aloisine inhibits cell proliferation by arresting cells in both G1 and G2.

  DOI：

  10.1021/jm020319p
• 作为产物：
  描述：

  n-Pentyl 2-pyrazinyl-sulfon 以34%的产率得到
  参考文献：
  名称：

  KONAKAHARA T.; GOKAN K.; IWAMA M.; TAKAGI Y., HETEROCYCLES, 1979, 12, NO 3, 373-376

  摘要：

  DOI：

文献信息

• Use of N-oxide compounds in coupling reactions
  申请人：Fagnou Keith

  公开号：US20080132698A1

  公开（公告）日：2008-06-05

  Metal-catalyzed coupling process comprising reacting a compound of general formula 1 with a compound A-X, to obtain a compound of general formula 2, which may further be converted to a compound of general formula 3

  金属催化偶联过程包括将一般式1的化合物与化合物A-X反应，得到一般式2的化合物，该化合物可能进一步转化为一般式3的化合物。
• Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device
  申请人：Inoue Hideko

  公开号：US20110245495A1

  公开（公告）日：2011-10-06

  An object is to provide a novel organometallic complex capable of emitting phosphorescence by using, as a ligand, an organic compound with which a variety of derivatives can be easily synthesized. Another object is to provide an organometallic complex having high heat resistance. Other objects are to provide a light-emitting element having high emission efficiency and to provide a light-emitting device, an electronic device, and a lighting device having reduced power consumption. Provided are an organometallic complex including a structure represented by the following General Formula (G1), and a light-emitting element, a light-emitting device, an electronic device, and a lighting device formed using the organometallic complex including the structure represented by the following General Formula (G1).

  提供一种新型有机金属配合物的目的是利用一种有机化合物作为配体，该有机化合物可以轻松合成各种衍生物，并且能够发射磷光。另一个目的是提供具有高耐热性的有机金属配合物。其他目的包括提供具有高发射效率的发光元件，以及提供具有降低功耗的发光装置、电子装置和照明装置。提供了一种包括以下一般式（G1）所代表的结构的有机金属配合物，以及使用包括以下一般式（G1）所代表的结构的有机金属配合物形成的发光元件、发光装置、电子装置和照明装置。
• Substituted aryl 1,4-pyrazine derivatives
  申请人：Verhoest R. Patrick

  公开号：US20060211710A1

  公开（公告）日：2006-09-21

  The invention is directed to compounds of Formula I, described herein, as well as pharmaceutically acceptable salts thereof, which act as CRF 1 antagonists and are useful in the treatment of disorders and diseases associated with CRF 1 receptors, including CNS-related disorders and diseases.

  该发明涉及本文描述的Formula I化合物，以及其药学上可接受的盐，这些化合物作为CRF 1 拮抗剂，在治疗与CRF 1 受体相关的疾病和疾病中起作用，包括与中枢神经系统相关的疾病和疾病。
• [EN] 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS<br/>[FR] 2-ARYLPYRAZINES SUBSTITUEES EN 5 COMME MODULATEURS SUR LES RECEPTEURS CRF
  申请人：NEUROGEN CORP

  公开号：WO2004018437A1

  公开（公告）日：2004-03-04

  Novel 5-substituted-2-arylpyrazine compounds are provided. Such compounds can act as selective modulators of CRF receptors. The 5-substituted-2-arylpyrazine compounds provided herein are useful in the treatment of a number of CNS and peripheral disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds provided are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  提供了一种新型的5-取代-2-芳基吡嗪化合物。这些化合物可以作为CRF受体的选择性调节剂。本文提供的5-取代-2-芳基吡嗪化合物在治疗多种中枢神经系统和外周疾病方面具有用途，特别是压力、焦虑、抑郁、心血管疾病和进食障碍。还提供了治疗这些疾病的方法以及包装的药物组合物。提供的化合物还可用作CRF受体的定位探针和CRF受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。
• Substituted arylpyrazines
  申请人：——

  公开号：US20030018035A1

  公开（公告）日：2003-01-23

  Arylpyrazine compounds are provided, including arylpyrazines that can bind with high affinity and high selectivity to CRF 1 receptors, including human CRF 1 receptors. The invention thus includes methods for treatment of disorders and diseases associated with CRF 1 receptors, including CNS-related disorders and diseases, particularly affective disorders and diseases, and acute and chronic neurological disorders and diseases.

  提供了芳基吡嗪化合物，包括可以与CRF1受体结合并具有高亲和力和高选择性的芳基吡嗪，包括人类CRF1受体。因此，该发明涉及用于治疗与CRF1受体相关的疾病和疾病的方法，包括与中枢神经系统相关的疾病和疾病，特别是情感障碍和疾病以及急性和慢性神经系统疾病。

表征谱图