(E)-3-(2,2-dimethylchroman-6-yl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)acrylamide | 1165738-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (E)-3-(2,2-dimethylchroman-6-yl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)acrylamide
• 英文别名: (E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
• CAS: 1165738-99-7
• 化学式: C₂₂H₂₅FN₂O₄S
• 分子量: 432.516
• InChiKey: OGMUQWIGCUMXCQ-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-丙烯酸,3-(3,4-二氢-2,2-二甲基-2H-1-苯并吡喃-6-基)-,(2E)- 、 3-fluoro-4-(methylsulfonylamino)benzylamine hydrochloride 在 N-甲基吗啉 、 三乙胺 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以77%的产率得到(E)-3-(2,2-dimethylchroman-6-yl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)acrylamide
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists

  摘要：

  We have developed a new class of diarylalkyl amides as novel TRPV1 antagonists. They exhibited potent Ca-45(2+) uptake inhibitions in rat DRG neuron. In particular, the amide 59 was identified as a potent antagonist with IC50 of 57 nM. The synthesis and structure-activity relationship of the diarylalkyl amides are also described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.04.010

文献信息

• Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists
  作者：Fu-Nan Li、Nam-Jung Kim、Seung-Mann Paek、Do-Yeon Kwon、Kyung Hoon Min、Yeon-Su Jeong、Sun-Young Kim、Young-Ho Park、Hee-Doo Kim、Hyeung-Geun Park、Young-Ger Suh

  DOI：10.1016/j.bmc.2009.04.010

  日期：2009.5

  We have developed a new class of diarylalkyl amides as novel TRPV1 antagonists. They exhibited potent Ca-45(2+) uptake inhibitions in rat DRG neuron. In particular, the amide 59 was identified as a potent antagonist with IC50 of 57 nM. The synthesis and structure-activity relationship of the diarylalkyl amides are also described. (C) 2009 Elsevier Ltd. All rights reserved.