6-(Ethyl(2,2,2-trifluoroethyl)amino)-4-(trifluoromethyl)quinolin-2(1H)-one

• 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: 6-(Ethyl(2,2,2-trifluoroethyl)amino)-4-(trifluoromethyl)quinolin-2(1H)-one
• 英文别名: 6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one；6-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
• 化学式: C₁₄H₁₂F₆N₂O
• 分子量: 338.252
• InChiKey: BMTWPTWVPQCHNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-氨基-4-三氟甲基喹啉-2-酮 2-羟基-4-三氟甲基-6-氨基喹啉 在 sodium tetrahydroborate 、 水 、 sodium cyanoborohydride 、 三氟乙酸 作用下， 反应 2.33h， 生成 6-(Ethyl(2,2,2-trifluoroethyl)amino)-4-(trifluoromethyl)quinolin-2(1H)-one
  参考文献：
  名称：

  Discovery of 6-N,N-Bis(2,2,2-trifluoroethyl)amino- 4-trifluoromethylquinolin-2(1H)-one as a Novel Selective Androgen Receptor Modulator

  摘要：

  The androgen receptor is a member of the extended family of nuclear receptors and is widely distributed throughout the body. Androgen therapy is used to compensate for low levels of the natural hormones testosterone (T) and dihydrotestosterone and consists of administration of T, prodrugs thereof, or synthetic androgens. However, currently available androgens have many drawbacks. We identified 6-dialkylamino-4-trifluoromethylquinolin-2(1H)-ones as orally available tissue-selective androgen receptor modulators.

  DOI：

  10.1021/jm060792t

文献信息

• Discovery of 6-<i>N,N</i>-Bis(2,2,2-trifluoroethyl)amino- 4-trifluoromethylquinolin-2(1<i>H</i>)-one as a Novel Selective Androgen Receptor Modulator
  作者：Arjan van Oeveren、Mehrnouch Motamedi、Neelakandha S. Mani、Keith B. Marschke、Francisco J. López、William T. Schrader、Andrés Negro-Vilar、Lin Zhi

  DOI：10.1021/jm060792t

  日期：2006.10.1

  The androgen receptor is a member of the extended family of nuclear receptors and is widely distributed throughout the body. Androgen therapy is used to compensate for low levels of the natural hormones testosterone (T) and dihydrotestosterone and consists of administration of T, prodrugs thereof, or synthetic androgens. However, currently available androgens have many drawbacks. We identified 6-dialkylamino-4-trifluoromethylquinolin-2(1H)-ones as orally available tissue-selective androgen receptor modulators.