2-异丁基哌嗪 | 29460-92-2

• 物质功能分类: 医药中间体 - 哌嗪类化合物
• 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: 2-异丁基哌嗪
• 中文别名: 2-异丁基吡嗪
• 英文名称: 2-methylpropylpyrazine
• 英文别名: 2-isopropylpyrazine；2-isobutylpyrazine；isobutyl-pyrazine；2-Isobutylpyrazin；2-(2-methylpropyl)pyrazine
• CAS: 29460-92-2
• 化学式: C₈H₁₂N₂
• mdl: MFCD00156150
• 分子量: 136.197
• InChiKey: YAIMUUJMEBJXAA-UHFFFAOYSA-N

物化性质

• 沸点：
  190.8±20.0 °C(Predicted)
• 密度：
  0.958±0.06 g/cm3(Predicted)
• LogP：
  1.715 (est)
• 保留指数：
  1049.3;1043;1043
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解，也未有已知的危险反应。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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
• 储存条件：
  请将贮藏器保持密封，并存放在阴凉干燥处。确保工作间有良好的通风或排气设施。

制备方法与用途

用途：用于日用和食用香精。

反应信息

• 作为反应物：
  描述：

  4-甲氧基苯甲腈 、 2-异丁基哌嗪 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以2%的产率得到7-isopropyl-6-(4-methoxyphenyl)[5H]pyrrolo[2,3-b]pyrazine
  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：

  i-Butyl 2-pyrazinyl-sulfon 以27%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

• RAD51 Inhibitors
  申请人：Cyteir Therapeutics, Inc.

  公开号：US20190077799A1

  公开（公告）日：2019-03-14

  This application is directed to inhibitors of RAD51 represented by the following structural formula, and methods for their use, such as to treat cancer, autoimmune diseases, immune deficiencies, or neurodegenerative diseases.

  这个应用程序是针对由以下结构式代表的RAD51抑制剂，以及它们的使用方法，例如用于治疗癌症、自身免疫疾病、免疫缺陷或神经退行性疾病。
• METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER
  申请人：Cyteir Therapeutics, Inc.

  公开号：US20200397760A1

  公开（公告）日：2020-12-24

  This application is directed to inhibitors of RAD51 represented by the following structural formula, and methods for their use, such as to treat pancreatic cancer.

  这个应用程序是针对由以下结构式代表的RAD51抑制剂，以及它们的使用方法，例如用于治疗胰腺癌。
• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same
  申请人：Kim Seon Mi

  公开号：US20130137661A1

  公开（公告）日：2013-05-30

  Disclosed are compounds useful as gonadotrophin-releasing hormone (“GnRH”) receptor antagonist.

  披露了作为促性腺激素释放激素（“GnRH”）受体拮抗剂有用的化合物。
• NOVEL CHEMOKINE CXCR1 AND CXCR2 RECEPTOR ANTAGONIST COMPOUNDS, AND USE THEREOF IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US20170349575A1

  公开（公告）日：2017-12-07

  Novel chemokine CXCR1 and CXCR2 receptor antagonist compounds of general formula (I) are described. Also described, are pharmaceutical compositions including the compounds, and use of the compounds and the compositions for the treatment of chemokine-mediated pathologies, more specifically in the field of dermatology.

  描述了一种通用式（I）的新型趋化因子CXCR1和CXCR2受体拮抗剂化合物。还描述了包括这些化合物的药物组合物，以及用于治疗趋化因子介导的病理生理学，更具体地说是在皮肤病学领域中使用这些化合物和组合物的方法。

表征谱图