3-cyclohexyl-1-methyl-1-[3-phenyl-3-(4-trifluoromethylphenoxy)propyl]thiourea | 1005454-88-5

• 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: 3-cyclohexyl-1-methyl-1-[3-phenyl-3-(4-trifluoromethylphenoxy)propyl]thiourea
• 英文别名: 3-Cyclohexyl-1-methyl-1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]thiourea；3-cyclohexyl-1-methyl-1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]thiourea
• CAS: 1005454-88-5
• 化学式: C₂₄H₂₉F₃N₂OS
• 分子量: 450.568
• InChiKey: WNHIKZLOJGCGMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  56.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氟西汀 、 环己基异硫氰酸脂 在 乙腈 作用下， 以 乙腈 为溶剂， 以67%的产率得到3-cyclohexyl-1-methyl-1-[3-phenyl-3-(4-trifluoromethylphenoxy)propyl]thiourea
  参考文献：
  名称：

  Substituted urea/thiourea derived from fluoxetine as potent appetite suppressants

  摘要：

  A series of urea and thiourea analogues of fluoxetine (5-17) were synthesized and evaluated for their anorexigenic and antidepressant activities. The related conformationally restrained analogues (20-23) were also prepared for structure-activity relationship (SAR) studies. Many of these derivatives (5, 6, 8, 10, 12, 13, 16, and 23) exhibited significant anorexigenic activity and interestingly were devoid of antidepressant activity, thus emerging as a promising tool for further research work.

  DOI：

  10.1007/s00044-007-9041-8

文献信息

• Substituted urea/thiourea derived from fluoxetine as potent appetite suppressants
  作者：Kalpana Bhandari、Nagarapu Srinivas、Lata Sharma、Shipra Srivastava、Amar Nath、Chandishwar Nath

  DOI：10.1007/s00044-007-9041-8

  日期：2008.6

  A series of urea and thiourea analogues of fluoxetine (5-17) were synthesized and evaluated for their anorexigenic and antidepressant activities. The related conformationally restrained analogues (20-23) were also prepared for structure-activity relationship (SAR) studies. Many of these derivatives (5, 6, 8, 10, 12, 13, 16, and 23) exhibited significant anorexigenic activity and interestingly were devoid of antidepressant activity, thus emerging as a promising tool for further research work.