2-[7-oxo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-2-yl]acetonitrile | 1034455-60-1

• 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-[7-oxo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-2-yl]acetonitrile
• CAS: 1034455-60-1
• 化学式: C₁₆H₁₁F₆N₃O₂
• 分子量: 391.273
• InChiKey: MYVMWZVGIURZKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(7-isopropoxy-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydro-1H-[1,4]oxazino[3,2-g]quinolin-2-yl)acetonitrile 在 盐酸 、 溶剂黄146 作用下， 生成 2-[7-oxo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-2-yl]acetonitrile
  参考文献：
  名称：

  Selective androgen receptor modulators based on a series of 7H-[1,4]oxazino[3,2-g]quinolin-7-ones with improved in vivo activity

  摘要：

  Modification on a lead series of [1,4] oxazino[3,2-g] quinolin-7-ones at the 2-position led to selective androgen receptor modulators with improved in vivo activity. The most potent analog (-)-33a exhibited full maintenance of levator ani muscle at 3 mg/kg and reduced activity on ventral prostate weight in a 2-week orally-dosed and orchidectomized rat maintenance assay. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.062

文献信息

• Selective androgen receptor modulators based on a series of 7H-[1,4]oxazino[3,2-g]quinolin-7-ones with improved in vivo activity
  作者：Yun Oliver Long、Robert I. Higuchi、Thomas R. Caferro、Thomas L.S. Lau、Min Wu、Marquis L. Cummings、Esther A. Martinborough、Keith B. Marschke、William Y. Chang、Francisco J. López、Donald S. Karanewsky、Lin Zhi

  DOI：10.1016/j.bmcl.2008.03.062

  日期：2008.5

  Modification on a lead series of [1,4] oxazino[3,2-g] quinolin-7-ones at the 2-position led to selective androgen receptor modulators with improved in vivo activity. The most potent analog (-)-33a exhibited full maintenance of levator ani muscle at 3 mg/kg and reduced activity on ventral prostate weight in a 2-week orally-dosed and orchidectomized rat maintenance assay. (C) 2008 Elsevier Ltd. All rights reserved.