4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N,N-diethyl-4-phenylcyclohexan-1-amine | 1580445-87-9

• 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: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N,N-diethyl-4-phenylcyclohexan-1-amine
• CAS: 1580445-87-9
• 化学式: C₂₆H₃₁F₆NO
• 分子量: 487.529
• InChiKey: USYVFVQJENXQQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  二乙胺 、 4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-phenylcyclohexanone 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N,N-diethyl-4-phenylcyclohexan-1-amine
  参考文献：
  名称：

  Discovery of a cyclopentylamine as an orally active dual NK1 receptor antagonist–serotonin reuptake transporter inhibitor

  摘要：

  Cyclopentylamine 4 was identified as a potent dual NK1R antagonist-SERT inhibitor. This compound demonstrated significant oral activity in the gerbil forced swimming test, suggesting that dual NK1R antagonists-SERT inhibitors may be useful in treating depression disorders. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.036

文献信息

• Discovery of a cyclopentylamine as an orally active dual NK1 receptor antagonist–serotonin reuptake transporter inhibitor
  作者：Yong-Jin Wu、Huan He、Qi Gao、Dedong Wu、Robert Bertekap、Ryan S. Westphal、Snjezana Lelas、Amy Newton、Tanya Wallace、Matthew Taber、Carl Davis、John E. Macor、Joanne Bronson

  DOI：10.1016/j.bmcl.2014.01.036

  日期：2014.3

  Cyclopentylamine 4 was identified as a potent dual NK1R antagonist-SERT inhibitor. This compound demonstrated significant oral activity in the gerbil forced swimming test, suggesting that dual NK1R antagonists-SERT inhibitors may be useful in treating depression disorders. (C) 2014 Elsevier Ltd. All rights reserved.