N''-hydroxy-N-(4-isopropylphenyl)imidoformamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N''-hydroxy-N-(4-isopropylphenyl)imidoformamide
• 英文别名: N-hydroxy-N'-(4-propan-2-ylphenyl)methanimidamide
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: XQHGYIOMSIVJMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-异丙基苯胺 在 盐酸羟胺 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 N''-hydroxy-N-(4-isopropylphenyl)imidoformamide
  参考文献：
  名称：

  Discovery of a N′-hydroxyphenylformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor

  摘要：

  N-(4-Butyl-2-methylphenyl)-N'-hydroxyformamidine (HET0016) was evaluated as the first potent and selective inhibitor of 20-hydroxy-5,8,11,14-eicosatetraenoic acid (20-HETE) synthase. The IC50 value of HET0016 for the production of 20-HETE from arachidonic acid (AA) by human renal microsomes was 8.9 +/- 2.7 nM, with over 200 times the selectivity of xenobiotic-metabolizing cytochrome P450 enzymes. An examination of the structure-activity relationship revealed that the unsubstituted hydroxyformamidine moiety and the substituent at the para-position of the N-hydroxyformamidine moiety are necessary for the potent activity of HET0016. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00614-x

文献信息

• Discovery of a N′-hydroxyphenylformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor
  作者：Masakazu Sato、Takaaki Ishii、Yuko Kobayashi-Matsunaga、Hideaki Amada、Kazuo Taniguchi、Noriyuki Miyata、Kazuya Kameo

  DOI：10.1016/s0960-894x(01)00614-x

  日期：2001.12

  N-(4-Butyl-2-methylphenyl)-N'-hydroxyformamidine (HET0016) was evaluated as the first potent and selective inhibitor of 20-hydroxy-5,8,11,14-eicosatetraenoic acid (20-HETE) synthase. The IC50 value of HET0016 for the production of 20-HETE from arachidonic acid (AA) by human renal microsomes was 8.9 +/- 2.7 nM, with over 200 times the selectivity of xenobiotic-metabolizing cytochrome P450 enzymes. An examination of the structure-activity relationship revealed that the unsubstituted hydroxyformamidine moiety and the substituent at the para-position of the N-hydroxyformamidine moiety are necessary for the potent activity of HET0016. (C) 2001 Elsevier Science Ltd. All rights reserved.