N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzamide | 1259791-78-0

• 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: N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzamide
• CAS: 1259791-78-0
• 化学式: C₂₆H₂₃F₄N₃O₃S
• 分子量: 533.547
• InChiKey: DLDUIPNYVRHPLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-chloro-6-fluoro-1,2-benzothiazole 1,1-dioxide 、 N-(2,2-dimethyl-3-(phenylamino)propyl)-3-(trifluoromethyl)benzamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Substituted N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 ion channel blockers. Part 2

  摘要：

  We report the synthesis and in vitro activity of a series of novel substituted N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several demonstrated similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. Two compounds 13i and 13rr were advanced further as potential tool compounds for in vivo validation studies. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.131

文献信息

• Substituted N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 ion channel blockers. Part 2
  作者：Curt D. Haffner、Stephen A. Thomson、Yu Guo、Kimberly Petrov、Andrew Larkin、Pierette Banker、Gregory Schaaf、Scott Dickerson、Jeff Gobel、Dan Gillie、J. Patrick Condreay、Chuck Poole、Tiffany Carpenter、John Ulrich

  DOI：10.1016/j.bmcl.2010.09.131

  日期：2010.12

  We report the synthesis and in vitro activity of a series of novel substituted N-3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several demonstrated similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. Two compounds 13i and 13rr were advanced further as potential tool compounds for in vivo validation studies. (C) 2010 Published by Elsevier Ltd.