5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-2-吡啶甲胺 | 880495-82-9

• 物质功能分类: 化学试剂 - 有机试剂 - 硼烷
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-2-吡啶甲胺
• 中文别名: (5-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)吡啶-2-基)甲胺
• 英文名称: C-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-methylamine
• 英文别名: (5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2-YL)methanamine；[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanamine
• CAS: 880495-82-9
• 化学式: C₁₂H₁₉BN₂O₂
• 分子量: 234.106
• InChiKey: PFBRKGDRUWEIFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  57.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-2-吡啶甲胺 、 7-bromo-9-cyclopropyl-6-fluoro-9H-isothiazolo[5,4-b]quinoline-3,4-dione 在 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-(6-Aminomethyl-pyridin-3-yl)-9-cyclopropyl-6-fluoro-9H-isothiazolo[5,4-b]quinoline-3,4-dione
  参考文献：
  名称：

  Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus

  摘要：

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.064
• 作为产物：
  描述：

  5-溴-2-吡啶甲醛 在 palladium on activated charcoal (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 ammonium hydroxide 、 氢气 、 碘 、 potassium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 45.0h， 生成 5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-2-吡啶甲胺
  参考文献：
  名称：

  Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus

  摘要：

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.064

文献信息

• BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS
  申请人：Singh Jasbir

  公开号：US20090324569A1

  公开（公告）日：2009-12-31

  The present invention relates to a genus of biaryl compounds containing at least one further ring. The compounds are PDE4 inhibitors useful for the treatment and prevention of stroke, myocardial infarct and cardiovascular inflammatory diseases and disorders. The compounds have general formula I: A particular embodiment is

  本发明涉及一类含有至少一个进一步环的双芳基化合物。这些化合物是PDE4抑制剂，可用于治疗和预防中风、心肌梗塞和心血管炎症性疾病和障碍。这些化合物具有一般式I：其中，一种特定的实施例为：
• Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders
  申请人：Singh Jasbir

  公开号：US08791267B2

  公开（公告）日：2014-07-29

  The present invention relates to a genus of biaryl compounds containing at least one further ring. The compounds are PDE4 inhibitors useful for the treatment and prevention of stroke, myocardial infarct and cardiovascular inflammatory diseases and disorders. The compounds have general formula I: A particular embodiment is

  本发明涉及一类含有至少一个进一步环的双芳基化合物。这些化合物是PDE4抑制剂，可用于治疗和预防中风、心肌梗塞和心血管炎症性疾病和疾病。这些化合物的一般式为I：一个特定的实施例是
• Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus
  作者：Jason A. Wiles、Yongsheng Song、Qiuping Wang、Edlaine Lucien、Akihiro Hashimoto、Jijun Cheng、Christopher W. Marlor、Yangsi Ou、Steven D. Podos、Jane A. Thanassi、Christy L. Thoma、Milind Deshpande、Michael J. Pucci、Barton J. Bradbury

  DOI：10.1016/j.bmcl.2005.11.064

  日期：2006.3

  We synthesized a diverse series of 9H-isothiazolo[5,4-b]quinoline-3,4-diones containing heteroaromatic groups at the 7-position via palladium-catalyzed cross-coupling. Many of these compounds demonstrated potent antistaphylococcal activity (MICs <= 2 mu g/mL) against a multi-drug-resistant strain (ATCC 700699) and low cytotoxic activity (CC50 > 100 mu M) against the human cell line Hep2 (laryngeal carcinoma). (C) 2005 Elsevier Ltd. All rights reserved.