O-(thiophen-2-ylmethyl)hydroxylamine | 39854-54-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: O-(thiophen-2-ylmethyl)hydroxylamine
• CAS: 39854-54-1
• 化学式: C₅H₇NOS
• 分子量: 129.183
• InChiKey: IBRFQKKMRBKIFY-UHFFFAOYSA-N

物化性质

• 沸点：
  253.7±23.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-(thiophen-2-ylmethyl)hydroxylamine 在 碳酸氢钠 、 一水合肼 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-(Thiophen-2-ylmethoxy)-4,5-dihydro-1H-imidazole-2-thiol
  参考文献：
  名称：

  1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl-amines, a novel class of NR1/2B subtype selective NMDA receptor antagonists

  摘要：

  Screening of the Roche compound depository led to the identification of (1-benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-butyl amine 4, a structurally novel NR1/2B Subtype selective NMDA receptor antagonist. The structure-activity relationships developed in this series resulted in the discovery of a novel class of potent and selective NMDA receptor blockers displaying activity in vivo. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00713-3
• 作为产物：
  描述：

  2-噻吩甲醛 在 lithium aluminium tetrahydride 、 三苯基膦 、 肼 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.5h， 生成 O-(thiophen-2-ylmethyl)hydroxylamine
  参考文献：
  名称：

  Identification of Human Alanine–Glyoxylate Aminotransferase Ligands as Pharmacological Chaperones for Variants Associated with Primary Hyperoxaluria Type 1

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c00142

文献信息

• Parasiticidal 2-alkoxy- and 2-aryloxyiminoalkyl trifluoromethanesulfonanilides
  作者：Abdelselam Ali、Timothy M. Altamore、Marianne Bliese、Petr Fisara、Andris J. Liepa、Adam G. Meyer、Oahn Nguyen、Roger M. Sargent、David G. Sawutz、David A. Winkler、Kevin N. Winzenberg、Angela Ziebell

  DOI：10.1016/j.bmcl.2007.10.090

  日期：2008.1

  A series of novel 2-alkoxy- and 2-aryloxyiminoalkyl trifluoromethanesulfonanilide derivatives have shown significant in vitro parasiticidal activity against the ectoparasites Ctenocephalides felis and Rhipicephalus sanguineus. A number of these compounds also displayed significant in vitro endoparasite activity against the nematode Haemonchus contortus. Crown copyright (C) 2007 Published by Elsevier Ltd. All rights reserved.
• 1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl-amines, a novel class of NR1/2B subtype selective NMDA receptor antagonists
  作者：Alexander Alanine、Anne Bourson、Bernd Büttelmann、Ramanjit Gill、Marie-Paule Heitz、Vincent Mutel、Emmanuel Pinard、Gerhard Trube、René Wyler

  DOI：10.1016/s0960-894x(03)00713-3

  日期：2003.10

  Screening of the Roche compound depository led to the identification of (1-benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-butyl amine 4, a structurally novel NR1/2B Subtype selective NMDA receptor antagonist. The structure-activity relationships developed in this series resulted in the discovery of a novel class of potent and selective NMDA receptor blockers displaying activity in vivo. (C) 2003 Elsevier Ltd. All rights reserved.
• Identification of Human Alanine–Glyoxylate Aminotransferase Ligands as Pharmacological Chaperones for Variants Associated with Primary Hyperoxaluria Type 1
  作者：Silvia Grottelli、Giannamaria Annunziato、Gioena Pampalone、Marco Pieroni、Mirco Dindo、Francesca Ferlenghi、Gabriele Costantino、Barbara Cellini

  DOI：10.1021/acs.jmedchem.2c00142

  日期：2022.7.28