(Z)-3-Dimethylamino-1,2-diphenyl-propenone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (Z)-3-Dimethylamino-1,2-diphenyl-propenone
• 英文别名: (Z)-3-(dimethylamino)-1,2-diphenylprop-2-en-1-one
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: BOCHZOAPGOOZEX-SSZFMOIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (Z)-3-Dimethylamino-1,2-diphenyl-propenone 、 1-甲基胍盐酸盐 在 potassium carbonate 作用下， 以 xylene 为溶剂， 生成 4,5-diphenyl-2-(methylamino)pyrimidine
  参考文献：
  名称：

  Structure–activity relationship study on the 6-membered heteroaromatic ring system of diphenylpyrazine-type prostacyclin receptor agonists

  摘要：

  A series of prostacyclin receptor agonists was prepared by modifying the central heteroaromatic ring of lead compound 2, and a docking study was performed to investigate their structure-activity relationships by using a homology-modeled structure of the prostacyclin receptor. Compound 2 and its derivatives could be docked to the prostacyclin receptor in two ways depending on the position of the nitrogen atom within the heteroaromatic ring. Furthermore, hydrogen bonding between the nitrogen atom in the heteroaromatic ring and the hydroxyl group of Ser20 or Tyr75 of the receptor appears to be important for the potent expression of biological activity. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.09.066

文献信息

• Structure–activity relationship study on the 6-membered heteroaromatic ring system of diphenylpyrazine-type prostacyclin receptor agonists
  作者：Tetsuo Asaki、Taisuke Hamamoto、Yukiteru Sugiyama、Keiichi Kuwano、Kenji Kuwabara、Tomoko Niwa

  DOI：10.1016/j.bmcl.2007.09.066

  日期：2007.12

  A series of prostacyclin receptor agonists was prepared by modifying the central heteroaromatic ring of lead compound 2, and a docking study was performed to investigate their structure-activity relationships by using a homology-modeled structure of the prostacyclin receptor. Compound 2 and its derivatives could be docked to the prostacyclin receptor in two ways depending on the position of the nitrogen atom within the heteroaromatic ring. Furthermore, hydrogen bonding between the nitrogen atom in the heteroaromatic ring and the hydroxyl group of Ser20 or Tyr75 of the receptor appears to be important for the potent expression of biological activity. (c) 2007 Published by Elsevier Ltd.