3-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-propan-1-ol | 16145-15-6

• 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: 3-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-propan-1-ol
• 英文别名: 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
• CAS: 16145-15-6
• 化学式: C₇H₉ClFN₃O
• 分子量: 205.619
• InChiKey: SVJOHEJZPKKSGS-UHFFFAOYSA-N

物化性质

• 沸点：
  430.4±40.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  58
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-propan-1-ol 在 sodium hydride 、 三苯基膦 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Indanylacetic acid derivatives carrying aryl-pyridyl and aryl-pyrimidinyl tail groups—new classes of PPAR γ/δ and PPAR α/γ/δ agonists

  摘要：

  Modulation of PPAR activities represents an attractive approach for the treatment of diabetes with associated cardiovascular complications. The indanylacetic acid structural motif has proven useful in the generation of potent and tunable PPAR ligands. Modification of the substituents on the linker and the heterocycle tail group allowed for the modulation of the selectivity at the different receptor subtypes. Compound 33 was evaluated in vivo, where it displayed the desired reduction of glucose levels and increase in HDL levels in various animal models. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.025
• 作为产物：
  描述：

  2,4-二氯-5-氟嘧啶 、 3-氨基-1-丙醇 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 生成 3-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-propan-1-ol
  参考文献：
  名称：

  Indanylacetic acid derivatives carrying aryl-pyridyl and aryl-pyrimidinyl tail groups—new classes of PPAR γ/δ and PPAR α/γ/δ agonists

  摘要：

  Modulation of PPAR activities represents an attractive approach for the treatment of diabetes with associated cardiovascular complications. The indanylacetic acid structural motif has proven useful in the generation of potent and tunable PPAR ligands. Modification of the substituents on the linker and the heterocycle tail group allowed for the modulation of the selectivity at the different receptor subtypes. Compound 33 was evaluated in vivo, where it displayed the desired reduction of glucose levels and increase in HDL levels in various animal models. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.025

文献信息

• Indole acetic acid derivatives and their use as pharmaceutical agents
  申请人：Ma Xin

  公开号：US20060264486A1

  公开（公告）日：2006-11-23

  This invention is directed to indole acetic acid derivatives and their use in pharmaceutical compositions for the treatment of diseases such as diabetes, obesity, hyperlipidemia, and atherosclerotic disease. The invention is also directed to intermediates useful in preparation of indole acetic derivatives and to methods of preparation.

  这项发明涉及吲哚乙酸衍生物及其在制备药物组合物中的应用，用于治疗糖尿病、肥胖症、高脂血症和动脉粥样硬化等疾病。该发明还涉及在制备吲哚乙酸衍生物中有用的中间体和制备方法。
• INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS
  申请人：Bayer Pharmaceuticals Corporation

  公开号：EP1620088A2

  公开（公告）日：2006-02-01
• EP1620088A4
  申请人：——

  公开号：EP1620088A4

  公开（公告）日：2007-08-29
• US7592361B2
  申请人：——

  公开号：US7592361B2

  公开（公告）日：2009-09-22
• US7964622B2
  申请人：——

  公开号：US7964622B2

  公开（公告）日：2011-06-21