2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one | 207122-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
• CAS: 207122-73-4
• 化学式: C₁₅H₁₅F₃N₂O
• 分子量: 296.292
• InChiKey: GVRLVMHEBSAKOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.89
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one 在 sodium hydride 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,2,3,3,8-五甲基-5-(三氟甲基)-2,3-二氢-1H-吡咯并[3,2-g]喹啉-7(8H)-酮
  参考文献：
  名称：

  New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone

  摘要：

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00107-3
• 作为产物：
  描述：

  2,3,3-trimethyl-2,3-dihydro-1H-indole 在 palladium on activated charcoal 硫酸 、 氢气 、 硝酸 、 zinc(II) chloride 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 21.08h， 生成 2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
  参考文献：
  名称：

  New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone

  摘要：

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00107-3

文献信息

• New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone
  作者：James P. Edwards、Sarah J. West、Charlotte L.F. Pooley、Keith B. Marschke、Luc J. Farmer、Todd K. Jones

  DOI：10.1016/s0960-894x(98)00107-3

  日期：1998.4

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.