(S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(2,4-dimethoxy-6-methylpyrimidin-5-ylamino)pyrazin-2(1H)-one | 1224432-51-2

• 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: (S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(2,4-dimethoxy-6-methylpyrimidin-5-ylamino)pyrazin-2(1H)-one
• 英文别名: 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2,4-dimethoxy-6-methylpyrimidin-5-yl)amino]pyrazin-2-one
• CAS: 1224432-51-2
• 化学式: C₁₇H₂₂ClN₅O₄
• 分子量: 395.846
• InChiKey: XVLGHPRDJHXPCK-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  98.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-氨基-2,4-二甲氧基-6-甲基嘧啶 、 (S)-3,5-dichloro-1-(1-cyclopropyl-2-methoxyethyl)pyrazin-2(1H)-one 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(2,4-dimethoxy-6-methylpyrimidin-5-ylamino)pyrazin-2(1H)-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N3-pyridylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists

  摘要：

  A series of N-3-pyridylpyrazinones was investigated as corticotropin-releasing factor-1 receptor antagonists. It was observed that the binding affinity of analogues containing a pyridyl group was influenced not only by the substitution pattern on the pyridyl group, but also by the pK(a) of the pyridyl nitrogen. Analogues containing a novel 6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine group were among the most potent N-3-pyridylpyrazinones synthesized. The synthesis and SAR of N-3-pyridylpyrazinones is described herein. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.129