3-(4-Methoxy-phenyl)-propionamidine | 102151-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-Methoxy-phenyl)-propionamidine
• 英文别名: 3-(4-Methoxyphenyl)propanimidamide
• CAS: 102151-93-9
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: IVEITJYEYSHRGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-Methoxy-phenyl)-propionamidine 、 三氟乙酰乙酸乙酯 在 sodium methylate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 2-[2-(4-Methoxy-phenyl)-ethyl]-6-trifluoromethyl-pyrimidin-4-ol
  参考文献：
  名称：

  Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors

  摘要：

  The synthesis and biological evaluation of novel human A-FABP inhibitors based on the 6-(trifluoromethyl)pyrimidine-4(1H)-one scaffold is described. Two series of compounds, bearing either an amino or carbon substituent in the 2-position of the pyrimidine ring were investigated. Modification of substituents and chain length optimization led to novel compounds with low micromolar activity and good selectivity for human A-FABP. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.058
• 作为产物：
  描述：

  3-(4-甲氧基苯基)-丙腈 在 盐酸 、 氨 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 38.0h， 生成 3-(4-Methoxy-phenyl)-propionamidine
  参考文献：
  名称：

  Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors

  摘要：

  The synthesis and biological evaluation of novel human A-FABP inhibitors based on the 6-(trifluoromethyl)pyrimidine-4(1H)-one scaffold is described. Two series of compounds, bearing either an amino or carbon substituent in the 2-position of the pyrimidine ring were investigated. Modification of substituents and chain length optimization led to novel compounds with low micromolar activity and good selectivity for human A-FABP. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.058

文献信息

• Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis
  申请人：Elliott Leonard Richard

  公开号：US20060241126A1

  公开（公告）日：2006-10-26

  Compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in therapy, in particular for treating atherosclerosis.

  公式为（I）的化合物是Lp-PLA2酶的抑制剂，可用于治疗，特别是用于治疗动脉粥样硬化。
• US7462620B2
  申请人：——

  公开号：US7462620B2

  公开（公告）日：2008-12-09
• Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors
  作者：Rune Ringom、Eva Axen、Jonas Uppenberg、Thomas Lundbäck、Lena Rondahl、Tjeerd Barf

  DOI：10.1016/j.bmcl.2004.06.058

  日期：2004.9

  The synthesis and biological evaluation of novel human A-FABP inhibitors based on the 6-(trifluoromethyl)pyrimidine-4(1H)-one scaffold is described. Two series of compounds, bearing either an amino or carbon substituent in the 2-position of the pyrimidine ring were investigated. Modification of substituents and chain length optimization led to novel compounds with low micromolar activity and good selectivity for human A-FABP. (C) 2004 Elsevier Ltd. All rights reserved.