tert-butyl 6-nitro-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate | 928118-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: tert-butyl 6-nitro-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate
• 英文别名: tert-butyl 6-nitro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
• CAS: 928118-23-4
• 化学式: C₁₃H₁₆N₂O₅
• 分子量: 280.28
• InChiKey: SLQMLLRHNBSNGE-UHFFFAOYSA-N

物化性质

• 沸点：
  404.9±45.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 6-nitro-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate 在 Raney Ni 氢气 作用下， 以 乙醇 为溶剂， 生成 tert-butyl 6-amino-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate
  参考文献：
  名称：

  Alpha2C adrenoreceptor agonists

  摘要：

  在其多种实施形式中，本发明涉及一类新型的苯基吗啡啶和苯基硫代吗啡啶化合物，这些化合物可用作α2C肾上腺素受体激动剂，包含这些化合物的药物组合物，以及使用这些化合物或药物组合物治疗、预防、抑制或改善与α2C肾上腺素受体激动剂相关的一种或多种疾病的方法。

  公开号：

  US20070093477A1
• 作为产物：
  描述：

  6-硝基-2H-1,4-苯并噁嗪-3(4H)-酮 在 硼烷四氢呋喃络合物 、 碳酸氢钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.5h， 生成 tert-butyl 6-nitro-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate
  参考文献：
  名称：

  Structure–activity relationship of human glutaminyl cyclase inhibitors having an N-(5-methyl-1H-imidazol-1-yl)propyl thiourea template

  摘要：

  In an effort to design inhibitors of human glutaminyl cyclase (QC), we have synthesized a library of N-aryl N-(5-methyl-1H-imidazol-1-yl)propyl thioureas and investigated the contribution of the aryl region of these compounds to their structure-activity relationships as cyclase inhibitors. Our design was guided by the proposed binding mode of the preferred substrate for the cyclase. In this series, compound 52 was identified as the most potent QC inhibitor with an IC50 value of 58 nM, which was two-fold more potent than the previously reported lead 2. Compound 52 is a most promising candidate for future evaluation to monitor its ability to reduce the formation of pGlu-A beta and A beta plaques in cells and transgenic animals. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.005

文献信息

• Alpha2C adrenoreceptor agonists
  申请人：McCormick D. Kevin

  公开号：US20070093477A1

  公开（公告）日：2007-04-26

  In its many embodiments, the present invention relates to a novel class of phenylmorpholine and phenylthiomorpholine compounds useful as α2C adrenergic receptor agonists, pharmaceutical compositions containing the compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the α2C adrenergic receptor agonists using such compounds or pharmaceutical compositions.

  在其多种实施形式中，本发明涉及一类新型的苯基吗啡啶和苯基硫代吗啡啶化合物，这些化合物可用作α2C肾上腺素受体激动剂，包含这些化合物的药物组合物，以及使用这些化合物或药物组合物治疗、预防、抑制或改善与α2C肾上腺素受体激动剂相关的一种或多种疾病的方法。
• ALPHA2C ADRENORECEPTOR AGONISTS
  申请人：McCormick Kevin D.

  公开号：US20100173823A1

  公开（公告）日：2010-07-08

  In its many embodiments, the present invention relates to a novel class of phenylmorpholine and phenylthiomorpholine compounds useful as α2C adrenergic receptor agonists, pharmaceutical compositions containing the compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the α2C adrenergic receptor agonists using such compounds or pharmaceutical compositions.

  在其许多实施方式中，本发明涉及一类新型的苯基吗啡啶和苯基硫代吗啡啶化合物，其作为α2C肾上腺素能受体激动剂有用，包含这些化合物的制药组合物，以及使用这些化合物或制药组合物治疗、预防、抑制或改善与α2C肾上腺素能受体激动剂相关的一种或多种疾病的方法。
• PURINONE COMPOUNDS AS KINASE INHIBITORS
  申请人：Pharmacyclics, Inc.

  公开号：US20140378446A1

  公开（公告）日：2014-12-25

  Disclosed herein are compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. In addition, reversible inhibitors of Btk are also described. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, and inflammatory diseases or conditions.

  本文披露了一些与布鲁顿酪氨酸激酶（Btk）形成共价键的化合物。还描述了Btk的不可逆抑制剂。此外，还描述了Btk的可逆抑制剂。还披露了包括这些化合物的制药组合物。披露了使用Btk抑制剂的方法，单独或与其他治疗剂联合使用，用于治疗自身免疫疾病或状况，异种免疫疾病或状况，癌症，包括淋巴瘤，以及炎症性疾病或状况。
• US7700592B2
  申请人：——

  公开号：US7700592B2

  公开（公告）日：2010-04-20
• US7985748B2
  申请人：——

  公开号：US7985748B2

  公开（公告）日：2011-07-26