4-Oxo-4-pyridin-3-ylbutane-1-diazonium | 2698401-04-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Oxo-4-pyridin-3-ylbutane-1-diazonium
• CAS: 2698401-04-4
• 化学式: C₉H₁₀N₃O
• 分子量: 176.198
• InChiKey: HDGCAMXBLGYZJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Oxo-4-pyridin-3-ylbutane-1-diazonium 以 水 为溶剂， 生成 4-羟基-1-(3-吡啶基)-1-丁酮
  参考文献：
  名称：

  烟草特异性致癌物4-（甲基亚硝胺基）-1-（3-吡啶基）-1-丁酮及其代谢物的对映异构体对F-344大鼠肺和肝DNA中2'-脱氧腺苷衍生加合物的分析和鉴定4-（甲基亚硝基氨基）-1-（3-吡啶基）-1-丁醇

  摘要：

  4-（甲基亚硝基氨基）-1-（3-吡啶基）-1-丁酮（NNK）及其代谢物4-（甲基亚硝基氨基）-1-（3-吡啶基）-1-丁醇（NNAL）在动物模型中具有致癌性，据信在吸烟者的人肺致癌作用中起着重要作用。细胞色素P450介导的这些烟草特有亚硝胺的代谢产生反应性物质，该反应性以吡啶基氧丁基（POB）-或吡啶基羟丁基（PHB）-DNA加合物的形式烷基化DNA。了解这些加合物的形成机理和总体水平，可以通过识别特别易感的吸烟者来潜在地增强癌症预防方法。先前的研究已经鉴定并测量了dGuo，dCyd和Thd的一组POB和PHB-DNA碱基加合物。但是，dAdo加合物尚未确定。在这项研究中，体外和体内。为此，我们合成了预期的dAdo衍生的DNA加合物的标准品，并使用同位素稀释LC-ESI + -MS / MS鉴定了由4-（乙酰氧基甲基亚硝基氨基）-1-（3-吡啶基）反应在体外形成的POB加合物。）-1-丁

  DOI：

  10.1021/acs.chemrestox.8b00056

文献信息

• MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13
  申请人：Scott Emily

  公开号：US20090137592A1

  公开（公告）日：2009-05-28

  A method of inhibiting formation of cancerous metabolites, of inhibiting cytochrome P450 2A13 from forming carcinogen metabolites, and/or inhibiting formation of cancerous lung cells in a subject can include: providing a morpholine compound that selectively interacts with cytochrome P450 2A13 over cytochrome P450 2A6; administering a therapeutically effective amount of the morpholine compound or derivative to the subject. The morpholine compound or derivative can be substantially more selective for interacting with the cytochrome P450 2A13 over the cytochrome P450 2A6. The morpholine compound or derivative can also be substantially non-interactive with other physiological components. The morpholine compound or derivative can include a structure that selectively interacts with cytochrome P450 2A13 over cytochrome P450 2A6, such as Compounds 1-34 of Formulas A-D.
• [EN] MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13<br/>[FR] MORPHOLINES UTILISABLES EN TANT QU'INHIBITEURS SÉLECTIFS DU CYTOCHROME P450 2A13
  申请人：UNIV KANSAS

  公开号：WO2009070579A2

  公开（公告）日：2009-06-04

  A method of inhibiting formation of cancerous metabolites, of inhibiting cytochrome P450 2A13 from forming carcinogen metabolites, and/or inhibiting formation of cancerous lung cells in a subject can include: providing a morpholine compound that selectively interacts with cytochrome P450 2A13 over cytochrome P450 2A6; administering a therapeutically effective amount of the morpholine compound or derivative to the subject. The morpholine compound or derivative can be substantially more selective for interacting with the cytochrome P450 2A13 over the cytochrome P450 2A6. The morpholine compound or derivative can also be substantially non-interactive with other physiological components. The morpholine compound or derivative can include a structure that selectively interacts with cytochrome P450 2A13 over cytochrome P450 2A6, such as Compounds 1-34 of Formulas A-D.