N-(2-isothiocyanatoethyl)acetamide | 73335-69-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2-isothiocyanatoethyl)acetamide
• CAS: 73335-69-0
• 化学式: C₅H₈N₂OS
• 分子量: 144.197
• InChiKey: YSZFXHDJAYJQKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2-isothiocyanatoethyl)acetamide 、 4-amino-N,N-bis(3-methylbutyl)-3-[(3-piperidin-1-ylpropyl)amino]benzamide 生成 2-(2-acetamidoethylamino)-N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
  参考文献：
  名称：

  Identification of a novel series of benzimidazoles as potent and selective antagonists of the human melanocortin-4 receptor

  摘要：

  A novel series of benzimidazoles was identified and optimized, leading to the discovery of potent and selective antagonists of the human melanocortin-4 receptor. In addition, compound 5i was shown to cross the blood-brain barrier after intravenous dosing in rats. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.010

文献信息

• Identification of a novel series of benzimidazoles as potent and selective antagonists of the human melanocortin-4 receptor
  作者：Lydie Poitout、Valérie Brault、Carole Sackur、Sonia Bernetière、José Camara、Pascale Plas、Pierre Roubert

  DOI：10.1016/j.bmcl.2007.06.010

  日期：2007.8

  A novel series of benzimidazoles was identified and optimized, leading to the discovery of potent and selective antagonists of the human melanocortin-4 receptor. In addition, compound 5i was shown to cross the blood-brain barrier after intravenous dosing in rats. (c) 2007 Elsevier Ltd. All rights reserved.