[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methanol | 1341223-03-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [1-(6-methylpyridazin-3-yl)azetidin-3-yl]methanol
• 英文别名: (1-(6-Methylpyridazin-3-yl)azetidin-3-yl)methanol
• CAS: 1341223-03-7
• 化学式: C₉H₁₃N₃O
• 分子量: 179.222
• InChiKey: JJHUOAJGWLCZSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(5-甲基-1,2,4-噁二唑)苯酚 、 [1-(6-methylpyridazin-3-yl)azetidin-3-yl]methanol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以30.5%的产率得到3-methyl-6-(3-{[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl}azetidin-1-yl)pyridazine
  参考文献：
  名称：

  Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders

  摘要：

  To try and generate broad spectrum human rhinovirus VP1 inhibitors with more attractive physicochemical, DMPK and safety profiles, we explored the current SAR of known VP1 compounds. This lead to the identification of specific structural regions where reduction in polarity can be achieved, so guiding chemistry to analogues with significantly superior profiles to previously reported inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.083
• 作为产物：
  描述：

  3-氯-6-甲基哒嗪 、 3-甲羟基氮杂环丁烷盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以1.3 g的产率得到[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methanol
  参考文献：
  名称：

  Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders

  摘要：

  To try and generate broad spectrum human rhinovirus VP1 inhibitors with more attractive physicochemical, DMPK and safety profiles, we explored the current SAR of known VP1 compounds. This lead to the identification of specific structural regions where reduction in polarity can be achieved, so guiding chemistry to analogues with significantly superior profiles to previously reported inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.083

文献信息

• [EN] PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF<br/>[FR] DÉRIVÉ DE PYRIDO[3,4-d]PYRIMIDINE ET SEL PHARMACEUTIQUEMENT ACCEPTABLE DE CELUI-CI<br/>[JA] ピリド［３，４－ｄ］ピリミジン誘導体及びその薬学的に許容される塩
  申请人：TEIJIN PHARMA LTD

  公开号：WO2016194831A1

  公开（公告）日：2016-12-08

  本発明の目的は、優れたＣＤＫ４／６阻害活性を有する化合物を提供することである。　本発明は、一般式（Ｉ）で表される化合物又はその薬学的に許容される塩で ある。
• Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders
  作者：Andrew Morley、Nicholas Tomkinson、Andrew Cook、Catherine MacDonald、Richard Weaver、Sarah King、Lesley Jenkinson、John Unitt、Christopher McCrae、Tim Phillips

  DOI：10.1016/j.bmcl.2011.08.083

  日期：2011.10

  To try and generate broad spectrum human rhinovirus VP1 inhibitors with more attractive physicochemical, DMPK and safety profiles, we explored the current SAR of known VP1 compounds. This lead to the identification of specific structural regions where reduction in polarity can be achieved, so guiding chemistry to analogues with significantly superior profiles to previously reported inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.