3-(Dimethylamino)-1-[4-(trifluoromethoxy)phenyl]propan-1-one | 1111139-39-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(Dimethylamino)-1-[4-(trifluoromethoxy)phenyl]propan-1-one
• CAS: 1111139-39-9
• 化学式: C₁₂H₁₄F₃NO₂
• 分子量: 261.244
• InChiKey: PFDLJTPUTLJJTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(Dimethylamino)-1-[4-(trifluoromethoxy)phenyl]propan-1-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors

  摘要：

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.021
• 作为产物：
  描述：

  N-甲氧基-N-甲基-4-(三氟甲氧基)苯甲酰胺 、 乙烯基溴化镁 、 二甲胺 以 四氢呋喃 为溶剂， 生成 3-(Dimethylamino)-1-[4-(trifluoromethoxy)phenyl]propan-1-one
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors

  摘要：

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.021

文献信息

• Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors
  作者：Ki-Ho Lee、Chun-Eung Park、Kyung-Hyun Min、Yong-Je Shin、Coo-Min Chung、Hui-Ho Kim、Hae-Jeoung Yoon、Won-Kim、Eun-Ju Ryu、Yu-Jin Shin、Hyun-Sik Nam、Jeong-Woo Cho、Hee-Yoon Lee

  DOI：10.1016/j.bmcl.2010.07.021

  日期：2010.9

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.