2-(N'',N''''-Dicyclohexyl-guanidino)-N-(4-hydroxymethyl-phenyl)-3-naphthalen-2-yl-propionamide | 161536-13-6

• 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: 2-(N'',N''''-Dicyclohexyl-guanidino)-N-(4-hydroxymethyl-phenyl)-3-naphthalen-2-yl-propionamide
• 英文别名: (2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-N-[4-(hydroxymethyl)phenyl]-3-naphthalen-2-ylpropanamide
• CAS: 161536-13-6
• 化学式: C₃₃H₄₂N₄O₂
• 分子量: 526.722
• InChiKey: QYQGUYAVKHBOLR-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  85.8
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(N'',N''''-Dicyclohexyl-guanidino)-N-(4-hydroxymethyl-phenyl)-3-naphthalen-2-yl-propionamide 在 N-溴代丁二酰亚胺(NBS) 、 二甲基硫 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Nonpeptide bradykinin antagonist analogs based on a model of a Sterling-Winthrop nonpeptide bradykinin antagonist overlapped with cyclic hexapeptide bradykinin antagonist peptides

  摘要：

  A proposed overlap between cyclic hexapeptide Bradykinin antagonists and nonpeptide Bradykinin antagonists is discussed. Structural variations on both the peptides and nonpeptides support the proposed overlap based on an increase or decrease in the biological activities of the antagonists. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00328-4
• 作为产物：
  描述：

  4-[[[(1,1-二甲基乙基)二甲基硅烷基]氧基]甲基]苯胺 在 哌啶 、 四丁基氟化铵 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 mercury dichloride 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 2-(N'',N''''-Dicyclohexyl-guanidino)-N-(4-hydroxymethyl-phenyl)-3-naphthalen-2-yl-propionamide
  参考文献：
  名称：

  Nonpeptide bradykinin antagonist analogs based on a model of a Sterling-Winthrop nonpeptide bradykinin antagonist overlapped with cyclic hexapeptide bradykinin antagonist peptides

  摘要：

  A proposed overlap between cyclic hexapeptide Bradykinin antagonists and nonpeptide Bradykinin antagonists is discussed. Structural variations on both the peptides and nonpeptides support the proposed overlap based on an increase or decrease in the biological activities of the antagonists. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00328-4

文献信息

• Nonpeptide bradykinin antagonist analogs based on a model of a Sterling-Winthrop nonpeptide bradykinin antagonist overlapped with cyclic hexapeptide bradykinin antagonist peptides
  作者：Sharon M. Dankwardt、Steven Ferla、John L. Krstenansky、Sunil Bhakta、Helene Ostrelich、Kurt Jarnagin

  DOI：10.1016/s0960-894x(97)00328-4

  日期：1997.7

  A proposed overlap between cyclic hexapeptide Bradykinin antagonists and nonpeptide Bradykinin antagonists is discussed. Structural variations on both the peptides and nonpeptides support the proposed overlap based on an increase or decrease in the biological activities of the antagonists. (C) 1997 Elsevier Science Ltd.