2-[(2-甲基-2-丙基)氧基]-5-硝基吡啶 | 72617-83-5

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-[(2-甲基-2-丙基)氧基]-5-硝基吡啶
• 英文名称: 2-tert-butoxy-5-nitropyridine
• 英文别名: 2-[(2-methylpropan-2-yl)oxy]-5-nitropyridine
• CAS: 72617-83-5
• 化学式: C₉H₁₂N₂O₃
• 分子量: 196.206
• InChiKey: GFVZPYNNDUUGJP-UHFFFAOYSA-N

物化性质

• 沸点：
  287.1±20.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-[(2-甲基-2-丙基)氧基]-5-硝基吡啶 在 palladium on activated charcoal potassium tert-butylate 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-(3-amino-6-t-butoxypyrid-2-yl)acetonitrile
  参考文献：
  名称：

  Macor, John E.; Newman, Michael E., Heterocycles, 1990, vol. 31, # 5, p. 805 - 809

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-5-硝基吡啶 在 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 生成 2-[(2-甲基-2-丙基)氧基]-5-硝基吡啶
  参考文献：
  名称：

  1-Benzoyl-3-(alkoxy- or alkylthiopyridinyl)ureas

  摘要：

  本发明涉及作为杀虫剂有用的1-苯甲酰基-3-(烷氧基或烷硫基吡啶基)脲化合物。

  公开号：

  US04173639A1

文献信息

• CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES
  申请人：Meyer Adam Gerhard

  公开号：US20080262048A1

  公开（公告）日：2008-10-23

  Novel trifluoromethanesulfonanilide oxime ether compounds useful for controlling endo and/or ectoparasites in the environment are provided, together with methods of making the same, and methods of using the inventive compounds to treat parasite infestations in vivo or ex vivo.

  提供了一种新型三氟甲磺酰苯胺肟醚化合物，可用于控制环境中的内寄生虫和/或外寄生虫，以及制备该化合物的方法和使用该创新化合物治疗体内或体外寄生虫感染的方法。
• An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer
  作者：Helen E. Colley、Munitta Muthana、Sarah J. Danson、Lucinda V. Jackson、Matthew L. Brett、Joanne Harrison、Sean F. Coole、Daniel P. Mason、Luke R. Jennings、Melanie Wong、Vamshi Tulasi、Dennis Norman、Peter M. Lockey、Lynne Williams、Alexander G. Dossetter、Edward J. Griffen、Mark J. Thompson

  DOI：10.1021/acs.jmedchem.5b01312

  日期：2015.12.10

  A number of indole-3-glyoxylamides have previously been reported as tubulin polymerization inhibitors, although none has yet been successfully developed clinically. We report here a new series of related compounds, modified according to a strategy of reducing aromatic ring count and introducing a greater degree of saturation, which retain potent tubulin polymerization activity but with a distinct SAR from previously documented libraries. A subset of active compounds from the reported series is shown to interact with tubulin at the colchicine binding site, disrupt the cellular microtubule network, and exert a cytotoxic effect against multiple cancer cell lines. Two compounds demonstrated significant tumor growth inhibition in a mouse xenograft model of head and neck cancer, a type of the disease which often proves resistant to chemotherapy, supporting further development of the current series as potential new therapeutics.
• 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1*) agonist and rotationally restricted phenolic analog of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole
  作者：John E. Macor、Carol A. Burkhart、James H. Heym、Jeffrey L. Ives、Lorraine A. Lebel、Michael E. Newman、Jann A. Nielsen、Kevin Ryan、David W. Schulz

  DOI：10.1021/jm00170a007

  日期：1990.8

  The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x vs the 5HT1D receptor) functional agonist for the 5-HT1B receptor. Direct infusion of 1 into the paraventricular nucleus of the hypothalamus of rats significantly inhibits food intake, implicating the role of 5-HT1B receptors in regulating feeding behavior in rodents. 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1) has also been shown to be biochemically discriminatory in its ability to selectively inhibit forskolin-stimulated adenylate cyclase activity only at the 5-HT1B receptor. The source of the selectivity of 1 appears to lie in the ability of a pyrrolo[3,2-b]pyrid-5-one to act as a rotationally restricted bioisosteric replacement for 5-hydroxyindole.
• MACOR, JOHN E.;NEWMAN, MICHAEL H., HETEROCYCLES, 31,(1990) N, C. 805-809
  作者：MACOR, JOHN E.、NEWMAN, MICHAEL H.

  DOI：——

  日期：——
• MACOR, JOHN E.;BURKHART, CAROL A.;HEYM, JAMES H.;IVES, JEFFREY L.;LEBEL, +, J. MED. CHEM., 33,(1990) N, C. 2087-2093
  作者：MACOR, JOHN E.、BURKHART, CAROL A.、HEYM, JAMES H.、IVES, JEFFREY L.、LEBEL, +

  DOI：——

  日期：——