3,3-Difluoro-1-phenylcyclobutan-1-amine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3-Difluoro-1-phenylcyclobutan-1-amine
• 英文别名: 3,3-difluoro-1-phenylcyclobutan-1-amine
• 化学式: C₁₀H₁₁F₂N
• mdl: MFCD24643476
• 分子量: 183.201
• InChiKey: OOEXLKOSNFZYTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-Difluoro-1-phenylcyclobutan-1-amine 、 在 benzotriazol-1-yloxy-tris(dimethylamino)-phosphonium chloride 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (1R,2R)-N-(3,3-difluoro-1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
  参考文献：
  名称：

  Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain

  摘要：

  A series of novel isoxazole voltage gated sodium channel blockers have been synthesized and evaluated. Substitutions on the benzylic position of benzamide were investigated to determine their effect on Na(v)1.7 inhibitory potency. The spirocyclobutyl substitution had the most significant enhancement on Na(v)1.7 inhibitory activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.135

文献信息

• AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES
  申请人：Janssen Sciences Ireland Unlimited Company

  公开号：US20200268730A1

  公开（公告）日：2020-08-27

  The application relates to amide derivatives, processes for their preparation, pharmaceutical compositions, and their uses, more particularly their uses in treating chronic hepatitis B virus (HBV) infection.
• Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain
  作者：Pengcheng P. Shao、Feng Ye、Ann E. Weber、Xiaohua Li、Kathryn A. Lyons、William H. Parsons、Maria L. Garcia、Birgit T. Priest、McHardy M. Smith、John P. Felix、Brande S. Williams、Gregory J. Kaczorowski、Erin McGowan、Catherine Abbadie、William J. Martin、Daniel R. McMasters、Ying-Duo Gao

  DOI：10.1016/j.bmcl.2009.07.135

  日期：2009.9

  A series of novel isoxazole voltage gated sodium channel blockers have been synthesized and evaluated. Substitutions on the benzylic position of benzamide were investigated to determine their effect on Na(v)1.7 inhibitory potency. The spirocyclobutyl substitution had the most significant enhancement on Na(v)1.7 inhibitory activity. (C) 2009 Elsevier Ltd. All rights reserved.