5-iodo-2,6-bis(methoxymethyl)-4-pyrimidinol | 499775-90-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-iodo-2,6-bis(methoxymethyl)-4-pyrimidinol
• 英文别名: 5-iodo-2,4-bis(methoxymethyl)-1H-pyrimidin-6-one
• CAS: 499775-90-5
• 化学式: C₈H₁₁IN₂O₃
• 分子量: 310.091
• InChiKey: BLGIVWNFAUVIRC-UHFFFAOYSA-N

物化性质

• 沸点：
  311.0±52.0 °C(Predicted)
• 密度：
  1.84±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-iodo-2,6-bis(methoxymethyl)-4-pyrimidinol 在 四(三苯基膦)钯 、 palladium diacetate 盐酸 、 三溴化硼 、 sodium carbonate 、 三乙胺 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 、 正丁醇 、 苯 为溶剂， 反应 31.75h， 生成 2,4-bis(hydroxymethyl)-8-{[2'-(1H-1,2,3,4-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride
  参考文献：
  名称：

  Novel human metabolites of the angiotensin-II antagonist tasosartan and their pharmacological effects

  摘要：

  Three novel metabolites of the angiotensin-II (A-II) receptor antagonist tasosartan have been identified in humans, and the syntheses and pharmacologic profiling of these metabolites are reported. Each metabolite bound the human A-II receptor with IC(50)s between 20 and 45 nM. The in vivo effects of these compounds in attenuating the pressor response to angiotensin-II challenge in anesthetized rats were also investigated. An unsaturated diol metabolite exhibited in vivo efficacy at intravenous doses of 1 and 3 mg/kg, while the other metabolites, both carboxylic acids, had no significant effect at the same doses. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00303-7
• 作为产物：
  描述：

  2,6-bis(methoxymethyl)-4-pyrimidinol 在 碘 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以3.3 g的产率得到5-iodo-2,6-bis(methoxymethyl)-4-pyrimidinol
  参考文献：
  名称：

  Novel human metabolites of the angiotensin-II antagonist tasosartan and their pharmacological effects

  摘要：

  Three novel metabolites of the angiotensin-II (A-II) receptor antagonist tasosartan have been identified in humans, and the syntheses and pharmacologic profiling of these metabolites are reported. Each metabolite bound the human A-II receptor with IC(50)s between 20 and 45 nM. The in vivo effects of these compounds in attenuating the pressor response to angiotensin-II challenge in anesthetized rats were also investigated. An unsaturated diol metabolite exhibited in vivo efficacy at intravenous doses of 1 and 3 mg/kg, while the other metabolites, both carboxylic acids, had no significant effect at the same doses. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00303-7