5-Bromo-1-(1,3-dimethoxypropan-2-yl)-3-[4-(fluoromethoxy)-2,6-dimethylanilino]pyrazin-2-one | 1408250-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-Bromo-1-(1,3-dimethoxypropan-2-yl)-3-[4-(fluoromethoxy)-2,6-dimethylanilino]pyrazin-2-one
• CAS: 1408250-58-7
• 化学式: C₁₈H₂₃BrFN₃O₄
• 分子量: 444.301
• InChiKey: DEUNBWHGEZKYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-Bromo-1-(1,3-dimethoxypropan-2-yl)-3-(4-methoxy-2,6-dimethylanilino)pyrazin-2-one 在 三溴化硼 、 potassium hydroxide 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 5-Bromo-1-(1,3-dimethoxypropan-2-yl)-3-[4-(fluoromethoxy)-2,6-dimethylanilino]pyrazin-2-one
  参考文献：
  名称：

  [18F](R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4-(2-fluoroethoxy)-2,5-dimethyl phenylamino)pyrazin-2(1H)-one: Introduction of N3-phenylpyrazinones as potential CRF-R1 PET imaging agents

  摘要：

  Based on a favorable balance between CRF-R1 affinity, lipophilicity and metabolic stability, compound 10 was evaluated for potential development as PET radioligand. Compound [F-18]10 was prepared with high radiochemical purity and showed promising binding properties in rat brain imaging experiments. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.112

文献信息

• [18F](R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4-(2-fluoroethoxy)-2,5-dimethyl phenylamino)pyrazin-2(1H)-one: Introduction of N3-phenylpyrazinones as potential CRF-R1 PET imaging agents
  作者：Jeffrey A. Deskus、Douglas D. Dischino、Ronald J. Mattson、Jonathan L. Ditta、Michael F. Parker、Derek J. Denhart、Dmitry Zuev、Hong Huang、Richard A. Hartz、Vijay T. Ahuja、Henry Wong、Gail K. Mattson、Thaddeus F. Molski、James E. Grace、Larisa Zueva、Julia M. Nielsen、Heidi Dulac、Yu-Wen Li、Mary Guaraldi、Michael Azure、David Onthank、Megan Hayes、Eric Wexler、Jennifer McDonald、Nicholas J. Lodge、Joanne J. Bronson、John E. Macor

  DOI：10.1016/j.bmcl.2012.08.112

  日期：2012.11

  Based on a favorable balance between CRF-R1 affinity, lipophilicity and metabolic stability, compound 10 was evaluated for potential development as PET radioligand. Compound [F-18]10 was prepared with high radiochemical purity and showed promising binding properties in rat brain imaging experiments. (C) 2012 Elsevier Ltd. All rights reserved.