4-(tert-butyl)benzo[d][1,2,3]triazine | 62786-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并-1,2,3-三嗪类化合物
• 英文名称: 4-(tert-butyl)benzo[d][1,2,3]triazine
• 英文别名: 4-tert-Butyl-1,2,3-benzotriazin；1,2,3-Benzotriazine, 4-(1,1-dimethylethyl)-；4-tert-butyl-1,2,3-benzotriazine
• CAS: 62786-01-0
• 化学式: C₁₁H₁₃N₃
• 分子量: 187.244
• InChiKey: BYTWCKIUFONGTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-aminophenyl)-2,2-dimethylpropan-1-one 在 亚硝酸特丁酯 、 叠氮基三甲基硅烷 、 对甲苯磺酰肼 、 三氟乙酸 作用下， 以 氯苯 、 乙腈 为溶剂， 反应 24.0h， 生成 4-(tert-butyl)benzo[d][1,2,3]triazine
  参考文献：
  名称：

  卡宾辅助芳烃开环

  摘要：

  尽管在芳烃的脱芳构化和C-H官能化方面取得了重大成就，但由于芳族化合物固有的高键解离能和强共振稳定能，芳烃开环仍然是一个很大程度上尚未解决的挑战，并且尚未得到充分发展。在这里，我们展示了一种新颖的卡宾辅助芳烃开环策略。通过我们的 DFT 计算对该机制的理解将促进散装芳烃化学品在合成增值多共轭链分子中的广泛应用。各种芳基叠氮化物衍生物现在可以直接转化为有价值的聚共轭烯炔，避免了传统的合成，包括多步不饱和前体、较差的选择性控制以及随后的过渡金属催化的交叉偶联反应。复杂分子和稠环化合物的后期修饰证明了所需的简单条件。这种化学扩展了卡宾化学的视野，并为芳烃开环提供了新的途径。

  DOI：

  10.1021/jacs.4c03634

文献信息

• Inhibitors of protein tyrosine kinase activity
  申请人：Raeppel Stephane

  公开号：US20080004273A1

  公开（公告）日：2008-01-03

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，该发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，导致受体信号传导的抑制，例如抑制VEGF受体信号传导和HGF受体信号传导。更具体地，该发明涉及用于抑制VEGF受体信号传导和HGF受体信号传导的化合物、组合物和方法。该发明还提供了用于治疗细胞增殖性疾病和病况的组合物和方法。
• TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1
  申请人：POLYPHOR AG

  公开号：US20140287986A1

  公开（公告）日：2014-09-25

  Novel template-fixed β-hairpin peptidomimetics of the general formula (I): cyclo[P 1 -P 2 -P 3 -P 4 -P 5 -P 6 -P 7 -P 8 -P 9 -P 10 -P 11 -P 12 -P 13 -P 14 -T 1 -T 2 ] wherein the single elements T or P are α-amino acid residues connected in either direction which, depending on their positions in the chain, are as defined in the description and the claims, and salts thereof, have the property of antagonizing the biological effect of the receptor FPR1. They can be used as medicaments to treat or prevent diseases or conditions in the areas of inflammatory diseases, allergic conditions, immunological disorders, neuroinflammation, neurological disorders, obstructive airway diseases, infectious diseases, ischemic reperfusion injuries and proliferative disorders such as e.g. cancer. These β-hairpin peptidomimetics can be manufactured by a process which is based on a mixed solid- and solution phase synthetic strategy.
• BETA-HAIRPIN PEPTIDOMIMETICS
  申请人：POLYPHOR AG

  公开号：US20160060298A1

  公开（公告）日：2016-03-03

  Beta-hairpin peptidomimetics of the general formula (I), cyclo(P 1 -p 2 -p 3 -p 4 -p 5 -p 6 -p 7 p 8 p 9 -p 10 -p 11 -p 12 -T 1 -T 2 ], and pharmaceutically acceptable salts thereof, with P 1 to P 12 , T 1 and T 2 being elements as defined in the description and the claims, have broad spectrum Gram-negative antimicrobial activity to e.g. inhibit the growth or to kill microorganisms such as Klebsiella pneumoniae and/or Acinetobacter baumannii and/or Escherichia coli . They can be used as medicaments to treat or prevent infections or as disinfectants for foodstuffs, cosmetics, medicaments or other nutrient-containing materials. These peptidomimetics can be manufactured by a process which is based on a mixed solid- and solution phase synthetic strategy.
• BACKBONE-CYCLIZED PEPTIDOMIMETICS WITH GLP-1R MODULATING ACTIVITY
  申请人：POLYPHOR AG

  公开号：US20180072774A1

  公开（公告）日：2018-03-15

  Novel backbone-cyclized peptidomimetics of the general formula cyclo[-P 1 -P 2 -P 3 -P 4 -P 5 -P 6 -P 7 -P 8 -T 1 -T 2 -]   (I) wherein the single elements T or P are α-amino acid residues connected in either direction which, depending on their positions in the chain, are as defined in the description and the claims, and salts thereof, have the property to modulate the GLP-1 receptor. They can be used as medicaments to treat, prevent, or delay the onset of diseases, disorders or conditions in which modulation of the human GLP-1 receptor is beneficial, such as type 2 diabetes. These backbone-cyclized peptidomimetics can be manufactured by a process which is based on a mixed solid—and solution phase synthetic strategy.
• Beta-Hairpin Peptidomimetics
  申请人：POLYPHOR AG

  公开号：US20180072775A1

  公开（公告）日：2018-03-15

  Beta-hairpin peptidomimetics of the general formula (I), and pharmaceutically acceptable salts thereof, with P, T, Q, and optionally L being elements as defined in the description and the claims, have Gram-negative antimicrobial activity to e.g. inhibit the growth or to kill microorganisms such as Klebsiella pneumoniae and/or Acinetobacter baumannii and/or Escherichia coli and/or Pseudomonas aeruginosa. They can be used as medicaments to treat or prevent infections or as disinfectants for foodstuffs, cosmetics, medicaments or other nutrient-containing materials. These peptidomimetics can be manufactured by a process which is based on a mixed solid- and solution phase synthetic strategy.