N-(tert-butylcarbamoyl)-4-(2-phenylpropan-2-ylamino)pyridine-3-sulfonamide | 1297487-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(tert-butylcarbamoyl)-4-(2-phenylpropan-2-ylamino)pyridine-3-sulfonamide
• 英文别名: 1-tert-butyl-3-[4-(2-phenylpropan-2-ylamino)pyridin-3-yl]sulfonylurea
• CAS: 1297487-88-7
• 化学式: C₁₉H₂₆N₄O₃S
• 分子量: 390.506
• InChiKey: SVACBJJCDKJNBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯吡啶-3-磺酰胺 、 Alpha,Alpha-二甲基苄胺 在 三乙胺 作用下， 以 2-甲基-2-丁醇 、 二氯甲烷 为溶剂， 生成 N-(tert-butylcarbamoyl)-4-(2-phenylpropan-2-ylamino)pyridine-3-sulfonamide
  参考文献：
  名称：

  Pyridinesulfonylureas and pyridinesulfonamides as selective bombesin receptor subtype-3 (BRS-3) agonists

  摘要：

  Bombesin receptor subtype-3 (BRS-3) is an orphan G-protein coupled receptor belonging to the subfamily of bombesin-like receptors. BRS-3 is implicated in the development of obesity and diabetes. We report here small-molecule agonists that are based on a 4-(alkylamino)pyridine-3-sulfonamide core. We describe the discovery of 2a, which has mid-nanomolar potency, selectivity for human BRS-3 versus the other bombesin-like receptors, and good bioavailability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.011

文献信息

• Pyridinesulfonylureas and pyridinesulfonamides as selective bombesin receptor subtype-3 (BRS-3) agonists
  作者：Michael M.-C. Lo、Harry R. Chobanian、Oksana Palyha、Yanqing Kan、Theresa M. Kelly、Xiao-Ming Guan、Marc L. Reitman、Jasminka Dragovic、Kathryn A. Lyons、Ravi P. Nargund、Linus S. Lin

  DOI：10.1016/j.bmcl.2011.02.011

  日期：2011.4

  Bombesin receptor subtype-3 (BRS-3) is an orphan G-protein coupled receptor belonging to the subfamily of bombesin-like receptors. BRS-3 is implicated in the development of obesity and diabetes. We report here small-molecule agonists that are based on a 4-(alkylamino)pyridine-3-sulfonamide core. We describe the discovery of 2a, which has mid-nanomolar potency, selectivity for human BRS-3 versus the other bombesin-like receptors, and good bioavailability. (C) 2011 Elsevier Ltd. All rights reserved.