N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide | 1073143-36-8

• 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-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
• CAS: 1073143-36-8
• 化学式: C₁₈H₁₁F₉INO₂
• 分子量: 571.181
• InChiKey: LNSWJNPSLZWNNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.81
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide 在 palladium diacetate 、 caesium carbonate 、 tricyclohexylphosphine tetrafluoroborate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2,2,2-trifluoroethyl)phenanthridin-6(5H)-one
  参考文献：
  名称：

  Structural development studies of anti-hepatitis C virus agents with a phenanthridinone skeleton

  摘要：

  A phenanthridinone skeleton was derived from our previous researches on thalidomide and retinoids as a multi-template for generation of anti-viral lead compounds. Structural development studies focusing on anti-hepatitis C virus activity afforded 5-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthridin-6(5H)-one (10) and 5-butylbenzo[b] phenanthridin-6(5H)-one(39), which showed EC50 values of approximately 3.7 and 3.2 mu M, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.02.057
• 作为产物：
  描述：

  在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
  参考文献：
  名称：

  Structural development studies of anti-hepatitis C virus agents with a phenanthridinone skeleton

  摘要：

  A phenanthridinone skeleton was derived from our previous researches on thalidomide and retinoids as a multi-template for generation of anti-viral lead compounds. Structural development studies focusing on anti-hepatitis C virus activity afforded 5-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthridin-6(5H)-one (10) and 5-butylbenzo[b] phenanthridin-6(5H)-one(39), which showed EC50 values of approximately 3.7 and 3.2 mu M, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.02.057

文献信息

• LXR Antagonists with a 5-Substituted Phenanthridin-6-one Skeleton: Synthesis and LXR Transrepression Activities of Conformationally Restricted Carba-T0901317 Analogs
  作者：Hiroyuki Miyachi、Atsushi Aoyama、Hiroshi Aoyama、Kosuke Dodo、Makoto Makishima、Yuichi Hashimoto

  DOI：10.3987/com-07-s(n)7

  日期：——