4-[(2R)-2-amino-2-phenylethyl]-2-[(2,6-difluorophenyl)methyl]-6-phenyl-1,2,4-triazine-3,5-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(2R)-2-amino-2-phenylethyl]-2-[(2,6-difluorophenyl)methyl]-6-phenyl-1,2,4-triazine-3,5-dione
• 化学式: C₂₄H₂₀F₂N₄O₂
• 分子量: 434.445
• InChiKey: ILTGGRYHADMNGW-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Phenylglyoxylsaeure-semicarbazon 在 N,O-双三甲硅基乙酰胺 、 sodium ethanolate 、 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙二醇 、 乙腈 为溶剂， 反应 44.5h， 生成 4-[(2R)-2-amino-2-phenylethyl]-2-[(2,6-difluorophenyl)methyl]-6-phenyl-1,2,4-triazine-3,5-dione
  参考文献：
  名称：

  Synthesis of aryl-1,2,4-triazine-3,5-diones as antagonists of the gonadotropin-releasing hormone receptor

  摘要：

  Several efficient synthetic routes for 2-, 4-, and 6-aryl-1,2,4-triazine-3,5-diones were developed. Derivatives were synthesized and studied as gonadotropin-releasing hormone antagonists in an effort to understand structure-activity relationships of the monocyclic compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.057

文献信息

• Synthesis of aryl-1,2,4-triazine-3,5-diones as antagonists of the gonadotropin-releasing hormone receptor
  作者：Joseph Pontillo、Zhiqiang Guo、Dongpei Wu、R. Scott Struthers、Chen Chen

  DOI：10.1016/j.bmcl.2005.06.057

  日期：2005.10

  Several efficient synthetic routes for 2-, 4-, and 6-aryl-1,2,4-triazine-3,5-diones were developed. Derivatives were synthesized and studied as gonadotropin-releasing hormone antagonists in an effort to understand structure-activity relationships of the monocyclic compounds. (c) 2005 Elsevier Ltd. All rights reserved.