(E)-3-(4-tert-butylphenyl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)acrylamide | 910534-75-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(4-tert-butylphenyl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)acrylamide
• 英文别名: (E)-3-[4-(t-butyl)phenyl]-N-[3-fluoro-4-(methanesulfonylamino)benzyl]-acrylamide；(E)-3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
• CAS: 910534-75-7
• 化学式: C₂₁H₂₅FN₂O₃S
• 分子量: 404.506
• InChiKey: OIGYNSAUCNCHPH-XYOKQWHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  4-tert-butyl-trans-cinnamic 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88%的产率得到(E)-3-(4-tert-butylphenyl)-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

• Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same
  申请人：Suh Young-Ger

  公开号：US20080234383A1

  公开（公告）日：2008-09-25

  This present invention relates to novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor (Vanilloid Receotor 1; VR1; TRPV1) antagonist; and a pharmaceutical composition containing the same. The present invention provides a pharmaceutical composition for preventing or treating a disease such as pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane, stomach-duodenal ulcer, inflammatory diseases, ear disease, and heart disease.

  本发明涉及新颖化合物，其异构体或其药学上可接受的盐作为辣椒素受体（辣椒素受体1；VR1；TRPV1）拮抗剂；以及含有其药物组合物。本发明提供了一种用于预防或治疗疼痛、偏头痛、关节痛、神经痛、神经病、神经损伤、皮肤疾病、膀胱过敏、肠易激综合征、大便紧迫、呼吸系统疾病、皮肤、眼或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳病和心脏病等疾病的药物组合物。
• NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：KIM Sun-Young

  公开号：US20080312234A1

  公开（公告）日：2008-12-18

  This present invention relates to novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor (Vanilloid Receptor 1; VR1; TRPV1) antagonist; and a pharmaceutical composition containing the same. The present invention provides a pharmaceutical composition for preventing or treating a disease such as pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane, stomach-duodenal ulcer, inflammatory diseases, ear disease, heart disease and so on.

  本发明涉及一种新型化合物、其异构体或其药学上可接受的盐作为vanilloid受体（Vanilloid Receptor 1；VR1；TRPV1）拮抗剂；以及包含该化合物的药物组合物。本发明提供了一种用于预防或治疗疾病的药物组合物，例如疼痛、偏头痛、关节痛、神经痛、神经病、神经损伤、皮肤疾病、膀胱过敏、肠易激综合症、排便紧迫、呼吸道疾病、皮肤、眼睛或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳疾病、心脏疾病等。
• NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：Amorepacific Corporation

  公开号：EP1861358A1

  公开（公告）日：2007-12-05
• US7858621B2
  申请人：——

  公开号：US7858621B2

  公开（公告）日：2010-12-28
• US7960584B2
  申请人：——

  公开号：US7960584B2

  公开（公告）日：2011-06-14