N-[4-(aminomethyl)phenyl]-1,1,1-trifluoromethanesulfonamide | 401573-32-8

• 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-(aminomethyl)phenyl]-1,1,1-trifluoromethanesulfonamide
• 英文别名: N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
• CAS: 401573-32-8
• 化学式: C₈H₉F₃N₂O₂S
• 分子量: 254.233
• InChiKey: RMOMEZIIKPPAFX-UHFFFAOYSA-N

物化性质

• 沸点：
  304.2±52.0 °C(Predicted)
• 密度：
  1.528±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-叔-丁基苄基异硫氰酸酯 、 N-[4-(aminomethyl)phenyl]-1,1,1-trifluoromethanesulfonamide 以 二氯甲烷 为溶剂， 生成 1-[(4-Tert-butylphenyl)methyl]-3-[[4-(trifluoromethylsulfonylamino)phenyl]methyl]thiourea
  参考文献：
  名称：

  N-4-Substituted-benzyl-N′-tert-butylbenzyl thioureas as vanilloid receptor ligands: investigation on the role of methanesulfonamido group in antagonistic activity

  摘要：

  A series of N-4-substituted-benzyl-N'-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that not only the two oxygens and amide hydrogen of sulfonamido group, but also the optimal size of methyl in methanesulfonamido group play an integral role for the antagonistic activity on vanilloid receptor. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.019
• 作为产物：
  描述：

  N-(4-cyanophenyl)-1,1,1-trifluoromethane sulfonamide 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 48.0h， 以82%的产率得到N-[4-(aminomethyl)phenyl]-1,1,1-trifluoromethanesulfonamide
  参考文献：
  名称：

  Design, synthesis and evaluation of trifluoromethane sulfonamide derivatives as new potent and selective peroxisome proliferator-activated receptor α agonists

  摘要：

  Starting from the structure of 5, a two-step strategy was applied to identify a new generation of trifluoromethane sulfonamides as potent PPAR alpha agonists. Synthesis, in vitro and in vivo evaluation of the most potent compound are reported. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.053

文献信息

• Chemical compounds
  申请人：——

  公开号：US20030225094A1

  公开（公告）日：2003-12-04

  Compounds of the general structural formula (I) and use of the compounds and salts and solvates thereof, as therapeutic agents. 1

  通用结构式（I）的化合物及其盐和溶剂合物的用途，作为治疗剂。
• 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。
• A Formylglycine‐Peptide for the Site‐Directed Identification of Phosphotyrosine‐Mimetic Fragments**
  作者：Markus Tiemann、Eric Nawrotzky、Peter Schmieder、Leon Wehrhan、Silke Bergemann、Vera Martos、Wei Song、Christoph Arkona、Bettina G. Keller、Jörg Rademann

  DOI：10.1002/chem.202201282

  日期：2022.10.12

  Site-directed screening? Formylglycine (red) is a reactive amino acid that can be utilized in fragment ligation assays. Incorporated into a site-directing hexapeptide it can effectively probe the active site of PTP1B, yielding new phosphotyrosine mimetics derived from different nucleophiles, such as aryl amines (green).

  现场定向筛选? 甲酰甘氨酸（红色）是一种反应性氨基酸，可用于片段连接分析。结合到定点六肽中，它可以有效地探测 PTP1B 的活性位点，产生来自不同亲核试剂的新磷酸酪氨酸模拟物，例如芳基胺（绿色）。
• Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases
  申请人：NUEVOLUTION A/S

  公开号：US10683293B2

  公开（公告）日：2020-06-16

  Disclosed are compounds active towards nuclear receptors, pharmaceutical compositions containing the compounds and use of the compounds in therapy.

  所公开的是对核受体具有活性的化合物、含有这些化合物的药物组合物以及这些化合物在治疗中的用途。
• OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES
  申请人：Nuevolution A/S

  公开号：EP3177611B1

  公开（公告）日：2021-10-06