2-trifluoromethyl-4-(2,4,6-trimethyl-phenoxy)-benzonitrile | 876760-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-trifluoromethyl-4-(2,4,6-trimethyl-phenoxy)-benzonitrile
• 英文别名: 4-(Mesityloxy)-2-(trifluoromethyl)benzonitrile；2-(trifluoromethyl)-4-(2,4,6-trimethylphenoxy)benzonitrile
• CAS: 876760-22-4
• 化学式: C₁₇H₁₄F₃NO
• 分子量: 305.299
• InChiKey: XMMDWVWTOYZZAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  366.1±42.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4,6-三甲酚 、 4-氟-2-(三氟甲基)苯甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-trifluoromethyl-4-(2,4,6-trimethyl-phenoxy)-benzonitrile
  参考文献：
  名称：

  Diphenyl ethers as androgen receptor antagonists for the topical suppression of sebum production

  摘要：

  A series of diphenyl ethers was prepared and evaluated for androgen receptor antagonist activity in human androgen receptor binding and cellular functional assays. Analogs with potent in vitro activities were evaluated for topical in vivo efficacy in the Golden Syrian Hamster ear model. Several compounds showed reduction in wax esters in this validated animal model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.104

文献信息

• ANDROGEN MODULATORS
  申请人：Warner-Lambert Company LLC

  公开号：EP1781280A2

  公开（公告）日：2007-05-09
• [EN] ANDROGEN MODULATORS<br/>[FR] MODULATEURS DES ANDROGENES
  申请人：WARNER LAMBERT CO

  公开号：WO2006018723A2

  公开（公告）日：2006-02-23

  The present invention is directed to the discovery of a new class of androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease sebum secretion and to stimulate hair growth.