N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanamide | 1165738-56-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
• 英文别名: N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanamide
• CAS: 1165738-56-6
• 化学式: C₂₅H₃₃FN₂O₃S
• 分子量: 460.613
• InChiKey: KXDUTUNDKSYHNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propionic acid 、 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80%的产率得到N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
  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.