2-(2-oxohexyl)pyridine | 34541-30-5

• 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
• 英文名称: 2-(2-oxohexyl)pyridine
• 英文别名: 1-(2-Pyridyl)-2-hexanon；1-(2-Pyridyl)-n-hexan-2-on；2-(2-Oxo-hexyl-1)-pyridin；1-pyridin-2-yl-hexan-2-one；1-(2-Pyridyl)-2-hexanone；1-pyridin-2-ylhexan-2-one
• CAS: 34541-30-5
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: VXXRFYXROZYXPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-oxohexyl)pyridine 在 sodium hydride 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 9.5h， 生成 (+/-)-2-<1-hydroxy-2-oxo-1-<<2'-(1H-tetrazol-5-yl)<1,1'-biphenyl>-4-yl>methyl>hexyl>pyridine
  参考文献：
  名称：

  Design and synthesis of nonpeptide angiotensin II receptor antagonists featuring acyclic imidazole-mimicking structural units

  摘要：

  Extensive molecular modelling studies, including conformational analysis and the comparison of molecular electrostatic potential distributions, were used to evaluate structural parameters of new antagonists containing acyclic replacements of the N = C-N imidazole region. The synthesis and the biological screening of a series of acyl biphenyltetrazole derivatives were planned and realized to gain an insight into the structure-activity relationships of this unusual class of Angiotensin II antagonists. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00160-6
• 作为产物：
  描述：

  (+/-)-2-(2-hydroxyhexyl)pyridine 在 jones reagent 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以30%的产率得到2-(2-oxohexyl)pyridine
  参考文献：
  名称：

  Design and synthesis of nonpeptide angiotensin II receptor antagonists featuring acyclic imidazole-mimicking structural units

  摘要：

  Extensive molecular modelling studies, including conformational analysis and the comparison of molecular electrostatic potential distributions, were used to evaluate structural parameters of new antagonists containing acyclic replacements of the N = C-N imidazole region. The synthesis and the biological screening of a series of acyl biphenyltetrazole derivatives were planned and realized to gain an insight into the structure-activity relationships of this unusual class of Angiotensin II antagonists. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00160-6

文献信息

• SUND E. H.; CASHON R. E.; TAYLOR R. L., TEX. J. SCI., 1980, 32, NO 1, 93-94
  作者：SUND E. H.、 CASHON R. E.、 TAYLOR R. L.

  DOI：——

  日期：——
• [EN] NOVEL INHIBITORS OF GLUTAMINASE<br/>[FR] NOUVEAUX INHIBITEURS DE GLUTAMINASE
  申请人：RHIZEN PHARMACEUTICALS SA

  公开号：WO2015101958A2

  公开（公告）日：2015-07-09

  The present disclosure provides compounds of formula (I) to (III) as glutaminase inhibitors, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of diseases or disorders involving glutamine.