1-(2-吡嗪基)-1,3-丁二酮 | 106971-51-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-吡嗪基)-1,3-丁二酮
• 英文名称: 1-(2-pyrazinyl)-1,3-butanedione
• 英文别名: 1-(Pyrazin-2-yl)butane-1,3-dione；1-pyrazin-2-ylbutane-1,3-dione
• CAS: 106971-51-1
• 化学式: C₈H₈N₂O₂
• 分子量: 164.164
• InChiKey: WKAGSOBNLONXEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-吡嗪基)-1,3-丁二酮 在 sodium hydride 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 29.0h， 生成 2-(5-Methyl-1-octylpyrazol-3-yl)pyrazine
  参考文献：
  名称：

  Molybdenum-Catalyzed Olefin Epoxidation: Ligand Effects

  摘要：

  AbstractWe synthesized substituted pyrazolylpyridine ligands to examine their donor properties by spectroscopic (IR, NMR) and computational (AM 1) methods. The influence of the substitution patterns on spectroscopic and thermodynamic features of molybdenum oxobisperoxo complexes [(L–L)MoO(O2)2] (L–L=2‐(1‐alkyl‐3‐pyrazolyl)pyridine/pyrazine) correlates with the activities of the complexes in catalytic olefin epoxidation reactions. This further proof for the relation between the Lewis acidity and the catalytic activity of epoxidation catalysts supports a reaction mechanism in which the peroxo complex activates the oxidizing agent (H2O2, ROOH) instead of directly transferring an oxygen atom from a π2‐peroxo ligand to the olefin.

  DOI：

  10.1002/chem.19970030508
• 作为产物：
  描述：

  哒嗪-3-羧酸甲酯 在 sodium methylate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 以940 mg (53%)的产率得到1-(2-吡嗪基)-1,3-丁二酮
  参考文献：
  名称：

  Substituted oxazoles and thiazoles derivatives as hPPAR&ggr; and hPPAR&agr; activators

  摘要：

  本发明揭示了化合物的结构公式(I)，以及其互变异构体形式、药学上可接受的盐或溶剂。优选，本发明的化合物是hPPAR&ggr;和hPPAR{acute over (&agr;)}的双激活剂。

  公开号：

  US06498174B1

文献信息

• Discovery of DS79182026: A potent orally active hepcidin production inhibitor
  作者：Takeshi Fukuda、Riki Goto、Toshihiro Kiho、Kenjiro Ueda、Sumie Muramatsu、Masami Hashimoto、Anri Aki、Kengo Watanabe、Naoki Tanaka

  DOI：10.1016/j.bmcl.2017.07.004

  日期：2017.8

  (ACD). We report herein the synthesis and structure-activity relationships (SARs) of a series of benzisoxazole compounds as orally active hepcidin production inhibitors. The optimization study of multi kinase inhibitor 1 led to a potent and bioavailable hepcidin production inhibitor 38 (DS79182026), which showed serum hepcidin lowering effects in a mouse IL-6 induced acute inflammatory model.

  铁调素已成为全身铁稳态的主要调节分子。抑制铁调素可能是一种有利于治疗慢性疾病性贫血（ACD）的策略。我们在此报告了一系列作为口服活性铁调素生产抑制剂的苯并异恶唑化合物的合成和构效关系（SAR）。对多激酶抑制剂1的优化研究导致了有效的，可生物利用的铁调素生产抑制剂38（DS79182026），该抑制剂在小鼠IL-6诱导的急性炎症模型中显示出降低铁调素的作用。
• [EN] SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS<br/>[FR] OXAZOLES SUBSTITUES ET DERIVES DE THIAZOLES COMME ACTIVATEURS DE ALPHA hPPAR ET DE GAMMA hPPAR
  申请人：GLAXO GROUP LTD

  公开号：WO2000008002A1

  公开（公告）日：2000-02-17

  The present invention discloses compounds of formula (I), and tautomeric forms, pharmaceutically acceptable salts, or solvates thereof. Preferably, the compounds of the invention are dual activators of hPPARη and hPPARα.

  本发明揭示了公式（I）的化合物，以及其互变异构体、药学上可接受的盐或溶剂。优选地，本发明的化合物是hPPARη和hPPARα的双激活剂。
• Smoking article
  申请人：R.J. REYNOLDS TOBACCO COMPANY

  公开号：EP0371285A2

  公开（公告）日：1990-06-06

  A cigarette (10) provides tobacco flavor by heating tobacco (16), but not burning tobacco or any other material. A heat source (35) which includes a metal oxide (eg., calcium oxide), an anhydrous metal sulfate (eg., magnesium sulfate), an inorganic salt and a sugar, generates heat upon contact of water therewith. The heat produced by the heat source heats tobacco in a heat exchange relationship therewith. Flavors volatilize from the tobacco and are drawn into the mouth of the user of the cigarette. Typical heat sources heat the tobacco to a temperature within 70°C to 200°C for 4 to 8 minutes.

  香烟（10）通过加热烟草（16）提供烟草香味，但不燃烧烟草或任何其他材料。热源（35）包括金属氧化物（如氧化钙）、无水金属硫酸盐（如硫酸镁）、无机盐和糖，与水接触后产生热量。热源产生的热量加热与之有热交换关系的烟草。香料从烟草中挥发出来，被吸入香烟使用者的口中。典型的热源可将烟草加热到 70°C 至 200°C 的温度，持续 4 至 8 分钟。
• Discovery and structure–activity relationships study of novel thieno[2,3-b]pyridine analogues as hepatitis C virus inhibitors
  作者：Ning-Yu Wang、Wei-Qiong Zuo、Ying Xu、Chao Gao、Xiu-Xiu Zeng、Li-Dan Zhang、Xin-Yu You、Cui-Ting Peng、Yang Shen、Sheng-Yong Yang、Yu-Quan Wei、Luo-Ting Yu

  DOI：10.1016/j.bmcl.2014.01.075

  日期：2014.3

  Current treatment for hepatitis C is barely satisfactory, there is an urgent need to develop novel agents for combating hepatitis C virus infection. This study discovered a new class of thieno[ 2,3-b] pyridine derivatives as HCV inhibitors. First, a hit compound characterized by a thienopyridine core was identified in a cell-based screening of our privileged small molecule library. And then, structure activity relationship study of the hit compound led to the discovery of several potent compounds without obvious cytotoxicity in vitro (12c, EC50 = 3.3 mu M, SI > 30.3, 12b, EC50 = 3.5 mu M, SI > 28.6, 10l, EC50 = 3.9 mu M, SI > 25.6, 12o, EC50 = 4.5 mu M, SI > 22.2, respectively). Although the mechanism of them had not been clearly elucidated, our preliminary optimization of this class of compounds had provided us a start point to develop new anti-HCV agents. (C) 2014 Elsevier Ltd. All rights reserved.
• 1,3-Dithiol-2-ylidene derivatives
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP0210284B1

  公开（公告）日：1992-08-19