6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-7-ol | 1034455-67-8

• 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-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-7-ol
• CAS: 1034455-67-8
• 化学式: C₁₃H₁₁BrF₃NO₂
• 分子量: 350.135
• InChiKey: POLZGQFBVQJCAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-7-ol 、 C₁₆H₂₂F₃NO₅S 在 potassium carbonate 作用下， 生成 C₂₂H₂₅BrF₆N₂O₄
  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
• 作为产物：
  描述：

  C₁₄H₁₃BrF₃NO₂ 在 sodium hydride 、 苯硫酚 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-7-ol
  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