3-(Dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol | 1225779-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(Dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
• 英文别名: 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
• CAS: 1225779-73-6
• 化学式: C₁₈H₂₃NO₂
• 分子量: 285.386
• InChiKey: NDFIBEWGCIEKML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol 、 2H-tetrazole 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 [3-(4-Benzyloxy-phenyl)-3-tetrazol-2-yl-propyl]-dimethyl-amine
  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：

  1-<4-(benzyloxy)phenyl>-3-(dimethylamino)propan-1-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 3-(Dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
  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.