4,4-dimethyl-2-phenyl-4H-isoquinoline-1,3-dione | 326918-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4,4-dimethyl-2-phenyl-4H-isoquinoline-1,3-dione
• 英文别名: 4,4-Dimethyl-2-phenyl-4H-isochinolin-1,3-dion；4,4-Dimethyl-2-phenylisoquinoline-1,3-dione
• CAS: 326918-01-8
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: QAPZHHJLCVNDMB-UHFFFAOYSA-N

物化性质

• 溶解度：
  25.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-phenylhomophthalimide 、 碘甲烷 在 甲醇 、 sodium methylate 作用下， 生成 4,4-dimethyl-2-phenyl-4H-isoquinoline-1,3-dione
  参考文献：
  名称：

  Meyer; Vittenet, Annales de Chimie (Cachan, France), 1932, vol. <10>17, p. 271,348,353

  摘要：

  DOI：

文献信息

• Progesterone receptor antagonists with a 3-phenylquinazoline-2,4-dione/2-phenylisoquinoline-1,3-dione skeleton
  作者：Aya Nakagawa、Shigeyuki Uno、Makoto Makishima、Hiroyuki Miyachi、Yuichi Hashimoto

  DOI：10.1016/j.bmc.2008.05.016

  日期：2008.7

  Novel non-steroidal progesterone receptor antagonists with a 3-phenylquinazoline-2,4-dione/2-phenylisoquinoline-1,3-dione skeleton were developed and their structure-activity relationships were investigated. Among the prepared compounds, 4-(4,4-diethyl-3,4-dihydro-1,3-dioxoquinolin-2(1H)yl) benzonitrile (DEPIQ-4CN) showed the most potent activity, with IC50 values of 74-78 nM in alkaline phosphatase activity and reporter gene assays. (c) 2008 Elsevier Ltd. All rights reserved.